SANC00603 Cyclobuxophylline K



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Analog ID Similarity score SMILES

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Mcule | MolPort | All | None
MCULE-4984586421 0.76 O=C(C1CNC1)CC1C2C=CC(CC2)C1
MCULE-9468460485 0.76 C/C(/C)=C/C(CC1C(N)CCC1)=O
MCULE-3585111676 0.76 C/C(/C)=C/C(C[C@H]1[C@H](N)CCC1)=O
MolPort-035-705-668 0.75 C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)C=CC(=O)C4(C)C)N(C)C
MCULE-4684891567 0.75 C/C(/C)=C/C(C1CC2NC(CC2)C1)=O
MCULE-1673240035 0.75 O=C(C1CNC1)CC1CC=CC1
MCULE-8194418914 0.75 CC1(C(CC2CC=CC2)=O)CNC1
MCULE-6442886842 0.75 O=C1CCC2(C)C3CCC4(C)C5C(C)C6(CCC(C)CN6C5CC4C3CCC2=C1)[H]
MCULE-5741416291 0.74 CNC1CC(C(/C=C(\C)/C)=O)C1
MCULE-1328524526 0.74 CC1(C(CC2CC=CCC2)=O)CNC1
MCULE-8492669516 0.74 O=C(C1CNC1)CC1CC=CCC1
MCULE-7200109721 0.73 CNC1CC(C(C2CCCCCC=2)=O)C1
MCULE-6081967266 0.73 C(CCN(C)C)(C1CC2CC1C=C2)=O
MCULE-3317486696 0.73 CNC1CC(C(C2CCCCC=2)=O)C1
MCULE-9692362001 0.72 C/C(/C)=C/C(C1CC2C(F)(F)C2C1)=O
MCULE-9166735804 0.72 C/C(/C)=C/C([C@H]1[C@@H](N)CCC1)=O
MCULE-8749402240 0.72 C/C(/C)=C/C(C1(C(N)CCCC1)C)=O
MCULE-3222409331 0.71 N[C@H]1[C@@H](C(CC2CC=CC2)=O)CCC1
MCULE-5474930579 0.71 NC1(C(CC2CC=CC2)=O)CCCCC1
MCULE-1443083112 0.71 CC1(C(CC2CC=CC2)=O)C(N)CCC1
MCULE-7066845162 0.71 NC1C(C(CC2CC=CC2)=O)CCC1
MCULE-3021668247 0.71 NC1(C(CC2CC=CC2)=O)CCCC1
MCULE-8873332241 0.71 NC1C(C(CC2CC=CC2)=O)CCCC1
MCULE-7786269754 0.71 C/C(/C)=C/CCC1C(=O)CCNC1
MCULE-8515037801 0.71 C1(CC2CC1C=C2)C(NC)=O
MCULE-8175949984 0.71 C1(C)(CC2CC1C=C2)C(=O)N(C)C
MolPort-002-488-537 0.71 CNC(=O)C1CC2CC1C=C2
MolPort-002-488-540 0.71 CN(C)C(=O)C1(C)CC2CC1C=C2
MCULE-1042513157 0.70 NC1(C(CC2C3C=CC(CC3)C2)=O)CC1
MCULE-7790858638 0.70 O=C(C1CCNCC1)CC1CC=CC1
MCULE-4244404709 0.70 C/C(/C)=C/CCC1C(=O)NCCCC1
MCULE-7388087441 0.70 CNC1CC(C(C(C)=C)=O)C1
MCULE-6370802457 0.69 O=C(C1CCNCC1)CC1CC=CCC1
MCULE-8923482488 0.69 NC1(C(CC2CC=CC2)=O)CC1
MCULE-9815633403 0.69 CN[C@H](C(C1CCCCCCC=1)=O)C
MolPort-009-018-954 0.69 CCCCCCCC\C=C/CCCCCCCC(=O)NCC
MCULE-2910442456 0.68 CC=CC(CC1CC2C(C2)C1)=O
MCULE-5882877418 0.68 C/C(/C)=C/C(CC1CC2C(C2)CC1)=O
MCULE-3589595055 0.68 CC=CC(CC1CC2C(C2)CC1)=O
MCULE-3247594562 0.68 C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CCC(=O)C)C
MCULE-7643707180 0.68 C/C(/C)=C/C(CC1CC2C(C2)C1)=O
MCULE-6575293503 0.68 CNC1CC(CC2CC=CC2)CCC1
MCULE-4717912947 0.68 CNC1C(CC2CC=CC2)CCCC1
MCULE-6224207903 0.68 CNC1C(CC2CC=CC2)CCC1
MCULE-2887787188 0.68 CNC1CC(CC2CC=CC2)(C)CC1
MCULE-9827247513 0.68 CNC1C(C)C(CC2CC=CC2)CC1
MCULE-3278877282 0.68 CNC1CC(CC2CC=CC2)CC1
MCULE-9090579751 0.68 CC(C(CC1C2C=CC(CC2)C1)=O)(N)C
MCULE-6510021618 0.68 CC(C(CC1C2C=CC(CC2)C1)=O)N
MCULE-7224713476 0.68 C/C(/C)=C/C(C1(CC2(CCC2)C1)N)=O
MCULE-2496401175 0.68 CNC(C12CCCCC1C2)/C=C(\C)/C
MCULE-6306556319 0.68 NCC(CC1C2C=CC(CC2)C1)=O
MCULE-5064019737 0.68 CNC(C12CCCC1C2)/C=C(\C)/C
MCULE-9207192092 0.68 NC1C(C(CC2CC=CCC2)=O)CCC1
MCULE-1925585665 0.68 NC1(C(CC2CC=CCC2)=O)CC1
MCULE-1547922105 0.68 CNC(C1CC2C(C2)CC1)/C=C(\C)/C
MCULE-4519266902 0.68 CNC(C1C2C(C2)CCC1)/C=C(\C)/C
MCULE-9134588789 0.68 NC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-6450374300 0.68 CC1NCC(C(CC2CC=CC2)=O)CC1
MCULE-5442461817 0.68 O=C(C1NCCCC1)CC1CC=CC1
MCULE-9450883253 0.68 CC1(C(CC2CC=CC2)=O)NCCCC1
MCULE-2602890097 0.68 O=C([C@@H]1NCCCC1)CC1CC=CC1
MCULE-7258861248 0.68 O=C([C@H]1NCCCC1)CC1CC=CC1
MCULE-7850853308 0.68 CN1C(C(CC2CC=CC2)=O)CCCC1
MCULE-3815359017 0.68 O=C(C1NCCCCC1)CC1CC=CC1
MolPort-002-516-109 0.68 CC(N\C(C)=C1\[C@H]2[C@@H](CC1=O)C2(C)C)C1C2CC3CC2CCC1C3
MolPort-046-153-788 0.67 CC(=O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
MolPort-005-095-232 0.67 CC(CCC=C(C)C)CN1CCC(CCC(=O)NC2CC2)CC1
MCULE-8415118010 0.67 CNC(CC1C2C=CC(CC2)C1)C
MCULE-4995838216 0.67 CNCCC1C2C=CC(CC2)C1
MCULE-2282209257 0.67 NC1C(CC(C2CCCCC=2)=O)CCC1
MCULE-5956607784 0.67 N[C@H]1[C@H](CC(C2CCCCC=2)=O)CCC1
MCULE-2738865607 0.67 N1(CCC(CC1)CCC(=O)NC1CC1)CC(C)CC/C=C(/C)\C
MCULE-3727146762 0.67 CCC(C1C(C)C1)NC(C1CCC(=C)CC1)=O
MCULE-4720069035 0.67 C1[C@H](NC)C([C@]2([C@@]3(C1)C[C@@]13CC[C@]3([C@@]([C@]1([H])CC2)(C)C[C@@H](O)[C@@H]3C(=O)C)C)[H])=C
MCULE-2288821324 0.67 CN[C@H](C(C1CCCCCC=1)=O)C
MCULE-5532082383 0.67 CC(C(C1CC2NC(CC2)C1)=O)=C
MCULE-5841405207 0.67 C/C(/C)=C/CCC1C(=O)NCCC1
MCULE-6956159895 0.67 C=CC(C1CC2NC(CC2)C1)=O
MCULE-2870683237 0.67 CC(C(CC1CC=CC1)=O)(N)C
MCULE-2246834769 0.67 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(=O)C2NC(C)=O
MCULE-5813141477 0.67 C/C(/C)=C/C(CC1NCCCC1)=O
MolPort-009-019-051 0.67 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N(C)C
MolPort-002-510-068 0.67 CC(=O)NC1C(=O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-321-097 0.67 CC(=O)NC1C(=O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-009-019-052 0.67 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC
MolPort-002-516-230 0.66 C\C(NC1CCCCC1)=C1/[C@H]2[C@@H](CC1=O)C2(C)C
MolPort-046-493-682 0.66 N[C@@H]1C[C@@H]2CC(C[C@H]12)C(=O)NCCC1CC=CC1
MCULE-3499659563 0.66 C/C(/C)=C/CCC1C(=O)NC(=O)CC1
MCULE-4130594609 0.66 N[C@H]1[C@@H]2[C@@H](CC(C(NCCC3CC=CC3)=O)C2)C1
MCULE-6162988768 0.66 C/C(/C)=C/CCC1C(=O)NCC1
MCULE-8124585996 0.66 CC1(C(CC2CC=CC2)=O)CNCC1
MCULE-2463207410 0.66 CC1(C(CC2CC=CC2)=O)CNCCC1
MCULE-2970193481 0.66 CC1C(C(CC2CC=CC2)=O)CNCC1
MCULE-6033327920 0.66 CC1C(C(CC2CC=CC2)=O)CCCN1
MCULE-3745133122 0.66 CC1CC(C(CC2CC=CC2)=O)CNC1
MCULE-1031560428 0.66 CNC(C1C(C)(C)C1/C=C(/C)\C)=O
MCULE-8833750833 0.66 CN(C(C1C(C)(C)C1/C=C(\C)/C)=O)C
MCULE-3257672801 0.66 CC(C(CC1CC=CCC1)=O)N
MCULE-8907556285 0.66 CC(C(CC1CC=CCC1)=O)(N)C
MCULE-6030418096 0.66 CC(C(CC1C(N)CCC1)=O)=C
MCULE-2304133660 0.66 NC1C(CC(C=C)=O)CCC1
MCULE-9443644390 0.66 C(C)(CC(=O)N)CC/C=C(\C)/C
MCULE-6380041803 0.66 N[C@H]1[C@H](CC(C=C)=O)CCC1
MCULE-7810108510 0.66 CC(C(C[C@H]1[C@H](N)CCC1)=O)=C
MolPort-002-810-607 0.66 CN(C)C(=O)C1C(C=C(C)C)C1(C)C
MolPort-005-709-234 0.66 CNC(=O)C1C(C=C(C)C)C1(C)C
MolPort-046-483-154 0.65 N[C@@H]1C[C@@H]2CC(C[C@H]12)C(=O)NCC1CCC=CCC1
MolPort-046-483-153 0.65 NC1CC2CC(CC12)C(=O)NCC1CCC=CCC1
MolPort-002-538-863 0.65 CC1CC(=O)C2CCCCC2[NH2+]1.CC([O-])=C1C(=O)CC(C)(C)CC1=O
MolPort-035-944-162 0.65 CCCCCCCCC=CCCCCCCCCCCCC(N)=O
MolPort-003-929-108 0.65 CCCCCCCC\C=C/CCCCCCCCCCCC(N)=O
MolPort-000-881-892 0.65 CCCCCCCC\C=C\CCCCCCCC(N)=O
MolPort-003-983-653 0.65 CCCCCCCC\C=C/CCCCCCCC(N)=O
MolPort-046-588-213 0.65 CCCCCCCC\C=C/CCCCCCCCCC(N)=O
MolPort-046-588-205 0.65 CCCCCC\C=C/CCCCCCCC(N)=O
MCULE-5178677545 0.65 NC1C2C(CC(C(NCC3CCC=CCC3)=O)C2)C1
MCULE-3689009291 0.65 O=C(C1NCCCC1)CC1CC=CCC1
MCULE-8867581566 0.65 O=C(C1CNCCC1)CC1CC=CCC1
MCULE-5022173880 0.65 O=C([C@@H]1NCCCC1)CC1CC=CCC1
MCULE-7629861132 0.65 CC1(C(CC2CC=CCC2)=O)CNCC1
MCULE-6272428263 0.65 CCC(C1C(C)C1)NC(C1CCC=CCC1)=O
MCULE-5101289271 0.65 CC1C(C(CC2CC=CCC2)=O)CCN1
MCULE-2849309785 0.65 O=C([C@@H]1CNCCC1)CC1CC=CCC1
MCULE-9295696496 0.65 CN1CC(C(CC2CC=CCC2)=O)CC1
MCULE-5033838387 0.65 CN[C@H](C(C1CCCCC=1)=O)C
MCULE-9746235107 0.65 NC(C(N)=O)CC1C2C=CC(CC2)C1
MCULE-1518212379 0.65 NC1CC(C(C2CCCCCCC=2)=O)C1
MCULE-1648303878 0.65 C12(CCC(C(=C)C1(C)C)C2)C(N)=O
MCULE-1193303005 0.65 CNC(CC1CC=CCC1)C
MCULE-2101563329 0.65 O=C(CCCCCCCC=CCCCCCCCC)N
MCULE-8315425906 0.65 CCCCCCC=CCCCCCCCC(N)=O
MCULE-7163673280 0.65 CNC1C(CC2CC=CCC2)CCC1
MCULE-2886059366 0.65 CCCCCCCCC=CCCCCCCCCCC(N)=O
MCULE-8674109851 0.65 CNC1CC(C(C=C)=O)C1
MCULE-5119823846 0.65 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N
MCULE-1236789578 0.65 CCCCCCCC/C=C\CCCCCCCC(=O)N
MCULE-6858199396 0.65 NC1CC(C(CC2CC=CC2)=O)C1
MCULE-2517446049 0.65 C(CCCCCCCCCCCC([H])=C([H])CCCCCCCC)(N)=O
MCULE-4261990794 0.65 CNC1CC(CC2CC=CCC2)CC1
MCULE-3992152530 0.65 NC1(C(CC2CC=CC2)=O)CCC1
MCULE-1801708535 0.65 N[C@H]1[C@H]2[C@H](C2)[C@@H](C(NCC2CCC=CCC2)=O)C1
MCULE-8549568392 0.65 O=C(C1C2C=CC(C2)C1)NC1CC1
MCULE-4557802338 0.65 C12(C)C(=O)C=C(NC)C(CC1)C2(C)C
MCULE-9726403212 0.65 CCN(C(C1C2C=CC(C2)C1)=O)C1CC1
MCULE-3387888466 0.65 CN(C(C1CCCCCC=1)=O)C
MCULE-1054381363 0.65 C1(C)(C)C(C1/C=C(/C)\C)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
MCULE-2915387109 0.65 C/C(/C)=C\C1C(C)(C)C1C(NC12CC3CC(C1)CC(C3)C2)=O
MCULE-3892972027 0.65 CC1(C(CC2CC=CC2)=O)NCCC1
MCULE-1055999492 0.65 O=C1C(CC2CC=CCC2)CNCC1
MCULE-2386888815 0.65 CC1C(C(CC2CC=CC2)=O)CNC1
MCULE-4917235754 0.65 O=C1C(CC2CC=CC2)CCCCN1
MCULE-8925033549 0.65 O=C1C(CC2CC=CC2)CCN1
MCULE-8193597137 0.65 N[C@H]1[C@@H](C(C2CCCCCC=2)=O)CCC1
MCULE-3321386293 0.65 N[C@H]1[C@@H](C(C2CCCCC=2)=O)CCC1
MolPort-005-710-355 0.65 O=C(NC1CC1)C1CC2CC1C=C2
MolPort-046-475-841 0.65 N[C@@H]1C[C@@H]([C@H]2C[C@@H]12)C(=O)NCC1CCC=CCC1
MolPort-028-831-575 0.65 CCN(C1CC1)C(=O)C1CC2CC1C=C2
MolPort-009-413-874 0.65 CC(C)=CC1C(C(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C
MolPort-002-740-295 0.65 CC(NC(=O)C1C(C=C(C)C)C1(C)C)C12CC3CC(CC(C3)C1)C2
MolPort-046-765-408 0.64 C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1C2=O
MolPort-002-241-569 0.64 CNC(CCCCC(NC)=C1C(=O)CC(C)(C)CC1=O)=C1C(=O)CC(C)(C)CC1=O
MolPort-023-329-717 0.64 CC(=O)NCC1CCN(CC1)C(=O)C[C@@H]1C[C@H]2C[C@@H]1C=C2
MolPort-035-945-915 0.64 O=C(NCC1CC2CC1C=C2)C12CC3CC(CC(C3)C1)C2
MolPort-035-837-789 0.64 O=C(CC1CC2CCC1C2)N1CCCC2(CCC=CC2)C1
MCULE-8264831774 0.64 NC1(C(CC2CC=CCC2)=O)CCC1
MCULE-4801038069 0.64 NC1CC(C(CC2CC=CCC2)=O)C1
MCULE-2749337522 0.64 C12(CC3CC(CC(C3)C1)C2)C(=O)NCC1CC2CC1C=C2
MCULE-5164668153 0.64 C1(=C(/CCCC/C(/NC)=C2\C(=O)CC(CC\2=O)(C)C)\NC)/C(=O)CC(CC/1=O)(C)C
MCULE-4477551925 0.64 C(=O)(C[C@@H]1C[C@H]2C[C@@H]1C=C2)N1CCC(CC1)CNC(C)=O
MCULE-9136781672 0.64 O=C(N1CC2(CC=CCC2)CCC1)CC1C2CC(CC2)C1
MCULE-8927697695 0.64 CC1C(C(CC2CC=CCC2)=O)CNC1
MCULE-3709576553 0.64 O=C(C1C2NCC1C2)CC1CC=CC1
MCULE-6310764107 0.64 CC1(C(CC2CC=CCC2)=O)NCCC1
MCULE-4514136408 0.64 CN1C(C(CC2CC=CCC2)=O)CCC1
MCULE-3279629236 0.64 NC1CC(C(C2C3CC(CC3)C2)=O)=CC1
MCULE-5119373215 0.64 NC1CC(C(C2CCCCC=2)=O)C1
MCULE-3024404931 0.64 NC1CC(C(C2CCCCCC=2)=O)C1
MCULE-1644852250 0.64 N[C@H]1[C@@H](C(C(C(F)(F)F)=C)=O)CCC1
MCULE-8749965695 0.64 CC1C(NC(C2C3C=CC(C3)C2)=O)CCCC1
MCULE-6250524465 0.64 C1[C@@]2(C)[C@@]([H])(CC[C@]3(C)C2=CC(=O)[C@@]2([H])[C@@]3(C)CC[C@]3(C(=O)NCC)[C@@]2([H])CC(C)(C)CC3)C(C)(C)C(=O)C1C#N
MCULE-8438391770 0.64 CC(C)=C1[C@H]2[C@H]3C(=O)NC(=O)[C@H]3[C@@H]1CC2
MCULE-4016220023 0.64 CC1CCC(NC(C2C3C=CC(C3)C2)=O)CC1
MCULE-8196759951 0.64 O=C(C1C2C=CC(C2)C1)NC(C1CC1)C1CC1
MCULE-4894515235 0.64 O=C(C12CNCC1C2)CC1CC=CCC1
MCULE-3791262908 0.64 CC1(C(F)(F)C1)CC(C1CC(N)CC=1)=O
MCULE-2177807277 0.64 CNCC1(C2CCCCC2)CC=CC1
MCULE-7863791614 0.64 CNCC1(C2CCCC2)CC=CC1
MCULE-9294391294 0.64 CNC(C1C2(CC2)C1)/C=C(\C)/C
MCULE-4488369369 0.64 [C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1C[C@@H](N(C)C)C2C(C)=O
MCULE-2134110333 0.64 C(C1C2C=CC(CC2)C1)C1CNC1
MCULE-9981088288 0.64 C1(C)(C)C(CC=C1C)CC(N)=O
MCULE-8452178903 0.64 C/C(/C)=C/C(C1NC(C2CC2)CC1)=O
MCULE-8584219669 0.64 NC1CC(C(CC2C(F)(F)C2)=O)=CC1
MolPort-028-827-542 0.64 CC1CCCCC1NC(=O)C1CC2CC1C=C2
MolPort-028-822-590 0.64 O=C(NC(C1CC1)C1CC1)C1CC2CC1C=C2
MolPort-028-827-677 0.64 CC1CCC(CC1)NC(=O)C1CC2CC1C=C2
MolPort-044-594-502 0.64 CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1[C@H]2C(=O)NC1=O
MolPort-002-511-084 0.64 CN(C)[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-000-249-276 0.64 CC1=CCC(CC(N)=O)C1(C)C
MolPort-002-488-538 0.63 CC1(CC2CC1C=C2)C(N)=O
MolPort-001-762-364 0.63 NC(=O)C1CC2CC1C=C2
MolPort-005-706-247 0.63 CCC(C)NC(=O)C1CC2CC1C=C2
MolPort-005-706-248 0.63 CC(C)CNC(=O)C1CC2CC1C=C2
MolPort-028-268-516 0.63 CC(NC(=O)C1CC2CC1C=C2)C(C)(C)C
MCULE-6694891496 0.63 C/C(/C)=C/C([C@@H]1CNCCC1)=O
MCULE-7783301876 0.63 CC1C(C(/C=C(\C)/C)=O)CNCC1
MCULE-2226059413 0.63 O=C1C(CC2CC=CC2)CCCN1
MCULE-3825212261 0.63 C/C(/C)=C/C([C@H]1CNCCC1)=O
MCULE-1354917535 0.63 NC(C1CC2C(C2)C1)CC1CC=CC1
MCULE-3657021044 0.63 O=C(C1C2C1CCCC2)CC1CC=CC1
MCULE-1827485897 0.63 NC(C1C2C1CCC2)CC1CC=CC1
MCULE-4140991159 0.63 CNC(CC1CC=CC1)C
MCULE-8357419701 0.63 O=C(C1C2C1CCC2)CC1CC=CC1
MCULE-2101450593 0.63 NC(C1C2C=CC(C2)C1)=O
MCULE-9163080208 0.63 C1(C)(CC2CC1C=C2)C(N)=O
MCULE-4122212331 0.63 CCC(NC(C1C2C=CC(C2)C1)=O)C
MCULE-8331920228 0.63 CC(CNC(C1C2C=CC(C2)C1)=O)C
MCULE-9995093109 0.63 CC(C(C)(C)C)NC(C1C2C=CC(C2)C1)=O
MCULE-8283109680 0.63 C/C(/C)=C/C(C1CC2C(F)(F)C2C1)N
MCULE-2068175586 0.63 C(C1(C2CC2)NCCC1)C1CC=CC1
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