SANC00599 Buxaminol A




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-2781396929 0.74 CC1(C(CC2CC=CCC2)O)CNC1
MCULE-4449136900 0.74 OC(C1CNC1)CC1CC=CCC1
MCULE-5029862705 0.73 OCCC(C1CC1)NCC1C2C=CC(C2)C1
MolPort-027-904-854 0.73 OCCC(NCC1CC2CC1C=C2)C1CC1
MolPort-002-537-790 0.72 CC(C12CC3CC(CC(C3)C1)C2)[N+](C)(C)C.CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C([O-])=O)C2CC1
MCULE-3488756898 0.72 CC1(C(NCC2CC=CCC2)CCC1)CO
MCULE-3126707364 0.72 OC(C1CCCCCC=1)C1CNC1
MCULE-3553257063 0.72 CC1(C(C2CCCCCC=2)O)CNC1
MolPort-027-918-935 0.72 CC1(CO)CCCC1NCC1CCC=CC1
MCULE-3786557678 0.71 OC1CCC(NCC2C3C=CC(C3)C2)CC1
MolPort-028-901-558 0.70 OC[C@H]1CC[C@@H](CC1)NCC1CCC=CC1
MolPort-044-233-001 0.70 CN(CCCO)C[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-030-179-934 0.70 OCC1CCCN(CC2CC3CC2C=C3)C1
MCULE-9348023669 0.70 CC1(C(C2CCCCC=2)O)CNC1
MCULE-3512540675 0.70 CN(C[C@H]1[C@H]2C=C[C@H](CC2)C1)CCCO
MCULE-3248047238 0.70 OC(C1CCCCC=1)C1CNC1
MCULE-1383227949 0.70 OC(C1CCCCCCC=1)C1CNC1
MCULE-1392709432 0.70 N1(CCCC(CO)C1)CC1CC2CC1C=C2
MCULE-4512864157 0.69 CC(C1(CCCC1)O)(CNC1[C@@H]2[C@@H](C=CC2)C1)C
MCULE-8997001295 0.69 OC1(C2CNC2)C2C=CC(C2)C1
MCULE-8079117081 0.69 OC1C(NCC2C3C=CC(C3)C2)CCCC1
MolPort-044-605-337 0.68 CC(NCCCO)C1CCC(C)=C(C)C1
MCULE-5464908289 0.68 CC(C1CC(C)=C(C)CC1)NCCCO
MCULE-8576481300 0.68 C1(CC2CC1C=C2)CN1CCC(CC1)O
MCULE-4041046509 0.68 OCC1(CCC1)CNC1[C@@H]2[C@@H](C=CC2)C1
MCULE-7431755401 0.68 CN(CC(CO)(CO)C)CC1C2C=CC(C2)C1
MCULE-5373774063 0.68 CNC1([C@@H]2C=C[C@@H](C2)C1)CO
MCULE-3379109654 0.68 CNC1(C2C=CC(C2)C1)CO
MCULE-9438253270 0.68 O[C@H]1[C@H](CNC2[C@@H]3C=C[C@@H](CC3)C2)CCCC1
MolPort-002-149-534 0.68 OC1CCN(CC2CC3CC2C=C3)CC1
MolPort-035-845-246 0.68 CN(CC1CC2CC1C=C2)CC(C)(CO)CO
MolPort-037-966-357 0.67 NCC1(CO)CC2CC1C=C2
MCULE-8965676491 0.67 CNC[C@H]1[C@H]2C=C[C@H](CC2)C1
MCULE-7612238737 0.67 CN(CC1C2C=CC(CC2)C1)C
MCULE-8088989626 0.67 OC1CCC(NCC2CC=CCC2)CC1
MCULE-3431041907 0.67 OC1(CCCCC1)CNCC1CC=CCC1
MCULE-6719375253 0.67 OC(C1CCCCCC=1)C1CNCC1
MCULE-2129113675 0.67 [C@@H]1(CCCC[C@H]1O)CNC(C)CC/C=C(/C)\C
MolPort-045-905-474 0.67 CC(CCC=C(C)C)NC[C@H]1CCCC[C@H]1O
MCULE-2837230297 0.66 CC(NC1[C@@H]2[C@@H](C=CC2)C1)CC(O)(C)C
MCULE-4430619720 0.66 OC(C1CNCC1)CC1CC=CCC1
MCULE-2501481360 0.66 C12(C)CCCC(C)(N)C1CC=C1C=C(C(C)C)CCC12
MCULE-7826665580 0.66 C1(C)(CC2CC1C=C2)C[N+](C)(C)C
MCULE-1365984278 0.66 CCNC(C1(C2C=CC(C2)C1)O)C
MCULE-5119172128 0.66 CC1NCCC(C2CCCCC=2)(O)C1
MCULE-4873788872 0.66 CC(CC(NCC1C2C=CC(C2)C1)CO)C
MCULE-1203403084 0.66 N#CCNCC1C2C=CC(CC2)C1
MCULE-7522217962 0.66 OC1C(CC2CC=CCC2)CNCC1
MCULE-2941758496 0.66 CN(CC1C2C=CC(CC2)C1)CC#N
MolPort-002-560-863 0.65 CC1CC(C)=CC(C)C1C[N+](C)(C)C
MolPort-000-742-511 0.65 CNCC1C(C)CC(C)=CC1C
MolPort-002-944-038 0.65 CC1CC(C)=CC(C)C1CN(C)C
MolPort-002-727-452 0.65 CC1C[N+](C)(C)C(C)CC1(O)\C=C\C1(O)CCCCC1
MolPort-002-726-822 0.65 CC1CC(O)(\C=C\C2(O)CCCCC2)C(C)CN1C
MCULE-9400998227 0.65 NC1(CC=CCC1)CC1(CCCC1)O
MCULE-4107589111 0.65 NC1(C2C(O)CCC2)CC=CCC1
MCULE-7594782797 0.65 CC1(C(C2(CC=CCC2)N)CCC1)O
MCULE-7755497057 0.65 C1C(C)C(CNC)C(CC=1C)C
MCULE-5388293696 0.65 C1(CN(C)C)C(C)CC(=CC1C)C
MCULE-6208530890 0.65 CC1C(C(C2CCCCC=2)O)CCN1
MCULE-6064501527 0.65 CC1(C(C2CCCCC=2)O)CNCC1
MCULE-3154125409 0.65 C1(O)(C=CC2(CCCCC2)O)C(C)CN(C(C)C1)C
MCULE-5552156140 0.65 OC(C1CCCCC=1)C1CNCC1
MCULE-9558990518 0.65 CC(C(C1(CC1)CNC1[C@@H]2[C@@H](C=CC2)C1)O)C
MCULE-1902375177 0.65 CC1(C(CC2CCCC=2)O)CNC1
MCULE-3596494094 0.65 C1(C)(CC2CC1C=C2)C[N+](C)(C)C.[I-]
MCULE-3931607267 0.65 OC1C(NCC2C3C=CC(C3)C2)CCC1
MCULE-5927927901 0.65 OC[C@@H]1CC[C@H](NC2[C@@H]3C=C[C@@H](CC3)C2)CC1
MCULE-9166871980 0.65 CC(C(CNC1[C@@H]2C=C[C@@H](CC2)C1)CO)C
MolPort-009-767-177 0.65 [I-].CC1(C[N+](C)(C)C)CC2CC1C=C2
MolPort-027-904-850 0.65 OC1CCCC1NCC1CC2CC1C=C2
MolPort-031-200-128 0.64 OCC1CCCN(CC2CCC=CC2)C1
MolPort-000-705-805 0.64 [I-].CC1CC(C)=CC(C)C1C[N+](C)(C)C
MolPort-035-705-668 0.64 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-8537665467 0.64 CC(C#N)NCC1C2C=CC(CC2)C1
MCULE-3172836278 0.64 N1(CCCC(CO)C1)CC1CCC=CC1
MCULE-7990578310 0.64 CC1C(C(C2CCCCC=2)O)CNC1
MCULE-9463325169 0.64 OC1(CCCCCC1)CNCC1CC=CCC1
MCULE-8911980154 0.64 N12C[C@@H](C)CC[C@]1([H])[C@H]([C@@]1([H])[C@]2([H])CC2([C@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2[C@]1(C)CC[C@H](O)C2)[H])C
MCULE-6952490456 0.64 C/C(/C)=C/C(C1C2NCC(CC2)C1)O
MCULE-3257430992 0.64 C1(CO)C(N)C2CC1C=C2
MCULE-2429666619 0.64 CC(NC[C@H]1[C@H]2C=C[C@H](CC2)C1)C
MCULE-1705089270 0.64 CC(NCC1C2C=CC(CC2)C1)C
MCULE-7904269341 0.64 CC(NCC1C2C=CC(CC2)C1)(C)C
MCULE-1783152150 0.64 OC(C1CCC(NCC2C3C=CC(C3)C2)CC1)=O
MCULE-6416647346 0.64 CCNCC1C2C=CC(CC2)C1
MCULE-2219613129 0.64 CCNC[C@H]1[C@H]2C=C[C@H](CC2)C1
MCULE-8011104748 0.64 CC(NC[C@H]1[C@H]2C=C[C@H](CC2)C1)(C)C
MCULE-1519217313 0.64 OC(C1CCCCC=1)C1C2NCC1C2
MCULE-8632622354 0.64 CCNC1(C2C=CC(C2)C1)CO
MCULE-3766602194 0.64 CC(NC1([C@@H]2C=C[C@@H](C2)C1)CO)C
MCULE-3776222869 0.64 CCNC1([C@@H]2C=C[C@@H](C2)C1)CO
MolPort-002-524-361 0.64 C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2CC3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12
MolPort-006-170-461 0.64 N[C@@H]1[C@H](CO)[C@@H]2C[C@H]1C=C2
MolPort-008-373-557 0.63 CC(CCC=C(C)C)NCC12CC3CC(C1)C(O)C(C3)C2
MCULE-6019750463 0.63 C12(CNC(C)CC/C=C(\C)/C)CC3CC(C(C(C3)C1)O)C2
MCULE-2911972452 0.63 OC(C1CCC(NCC2C3C=CC(CC3)C2)CC1)=O
MCULE-2429806409 0.63 OCC1(CNC1)CC1CC=CC1
MCULE-6407877939 0.63 C[C@H]1CC[C@@H]([C@H]([C@@H]2[C@]3(C)[C@H]([C@H]4[C@H](CC3)[C@]3(C)C(C[C@H](CC3)O)=CC4)C[C@@H]2O)C)N(C)C1
MCULE-8995433010 0.63 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](N(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1OC
MCULE-9080029369 0.63 CCC(CCNC1[C@@H]2C=C[C@@H](CC2)C1)O
MCULE-3875418078 0.63 CC12C(CN3CC3)(O)CCC1C1CC=C3C(C)(C1CC2)CCC(O)C3
MCULE-6706932725 0.63 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](O)[C@@H]2[C@H](C)[C@@]1([H])CC[C@H](CN1)C
MCULE-1367761206 0.63 CNC1CC(C(C2CCCCC=2)O)C1
MCULE-5243836648 0.63 C1(CO)C(N)C2CC1C=C2.Cl
MCULE-5471602250 0.63 OC(C1CCCCCC=1)CC1CNC1
MCULE-7912573782 0.63 CC(CC(C(=O)O)CNCC1C2C=CC(C2)C1)C
MCULE-9053104739 0.63 OC1(C2NCCCC2)C2C=CC(C2)C1
MolPort-035-705-637 0.63 CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)N(C)C
MolPort-002-354-270 0.63 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2(O)CN1CC1
MolPort-002-525-357 0.63 C[C@@H]([C@H]1[C@H](O)CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)[C@H]1CC[C@@H](C)CN1
MolPort-006-170-458 0.63 Cl.N[C@H]1[C@@H](CO)[C@@H]2C[C@H]1C=C2
MolPort-002-054-120 0.63 Cl.NC1C(CO)C2CC1C=C2
MolPort-011-249-025 0.63 CC(C)NCC1CC2CC1C=C2
MolPort-046-555-077 0.63 CC1=C(CCN2CCC[C@]3(CCC[C@H]3O)C2)C(C)(C)CCC1
MolPort-002-550-929 0.63 CC1CC(C)=CC(C)C1CNC1CCCCC1
MolPort-039-339-170 0.62 C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1
MolPort-013-972-327 0.62 NC(CO)C1CCC=CC1
MolPort-003-993-534 0.62 OCCCCNCCC1CCCC=C1
MolPort-028-773-302 0.62 CC(CCC=C(C)C)NCC1CCCC(O)C1
MolPort-002-150-116 0.62 OC1CCN(CC2CCC=CC2)CC1
MolPort-008-373-192 0.62 CC(CCC=C(C)C)NC(C)C12CC3CC(CC(O)(C3)C1)C2
MCULE-3852616641 0.62 C1(CCN2CCC[C@]3(CCC[C@H]3O)C2)C(C)(C)CCCC=1C
MCULE-2927382977 0.62 OCCC1(CCC1)CNC1[C@@H]2C=C[C@@H](CC2)C1
MCULE-1906258139 0.62 OC1CC(NC2C3C=CC(C3)C2)C1
MCULE-2331913954 0.62 NC1C(C(C2CCCCC=2)O)CCC1
MCULE-5952896973 0.62 CC(NCC1C2C=CC(C2)C1)C
MCULE-2522604628 0.62 C1=C(C)CC(C(CNC2CCCCC2)C1C)C
MCULE-7860522622 0.62 C(C1CC=CCC1)NC1C2CC(CC2)C1
MCULE-6830245759 0.62 CC1NCC(C(/C=C(\C)/C)O)CC1
MCULE-9087411700 0.62 NC(CC1C2C=CC(CC2)C1)CO
MCULE-4102226627 0.62 NCC(CC1C2C=CC(CC2)C1)O
MCULE-7855522227 0.62 CCC(C(=O)O)(CNCC1C2C=CC(C2)C1)CC
MCULE-8797045230 0.62 CC(NCC1CC(O)CCC1)CC/C=C(\C)/C
MCULE-2931111597 0.62 C/C(/C)=C/CCC1C(O)CCNC1
MCULE-5086608018 0.62 C12(CC3CC(CC(C3)(O)C1)C2)C(C)NC(C)CC/C=C(/C)\C
MCULE-4488369369 0.62 [C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1C[C@@H](N(C)C)C2C(C)=O
MCULE-4695335780 0.62 [C@]12(CC[C@]([H])(N(C)CCCN(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H])[H]
MCULE-2115945080 0.62 C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2N)C)O
MCULE-7742143837 0.62 CC(C(CC1(CC=CCC1)N)(O)C)C
MCULE-8929072625 0.62 CC(C(CC1(CC=CCC1)N)O)(C)C
MCULE-9126151472 0.62 CCC(CC1(CC=CCC1)N)(O)C
MCULE-1082708629 0.62 OC1(C2NCCC2)C2C=CC(C2)C1
MCULE-4865687736 0.62 NC1(CC=CCC1)CC(C(F)(F)F)O
MCULE-3954767055 0.62 C/C(/C)=C/C(CC1NCCCC1)O
MCULE-9378673615 0.62 NC1(CC=CCC1)CC(CF)O
MCULE-9958550777 0.62 C/C(/C)=C/C(CC1NCCC1)O
MCULE-4799261489 0.62 CC(CNC1[C@@H]2[C@@H](C=CC2)C1)(CCO)C
MCULE-1510883792 0.62 CC(C(=O)O)CN(CC1C2C=CC(C2)C1)C
MCULE-6643144793 0.62 C1(N(C)C)CCC=CCCC1
MCULE-3854129268 0.62 [N+](C)(C)(C)C1CCCC=CCC1
MCULE-8015439669 0.62 OC(C1CCC(NCC2CC=CCC2)CC1)=O
MCULE-8415118010 0.62 CNC(CC1C2C=CC(CC2)C1)C
MCULE-4995838216 0.62 CNCCC1C2C=CC(CC2)C1
MolPort-002-511-084 0.62 CN(C)[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-002-354-437 0.62 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2N
MolPort-029-924-865 0.61 CN(CC1CC2CC1C=C2)CC1CC2CC1C=C2
MolPort-008-364-472 0.61 CC(CCCC(C)(C)O)NC(C)CCC=C(C)C
MolPort-046-761-446 0.61 [2H]C([2H])([2H])C1([C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@]2(C)[C@H](CC=C12)[C@H](C)CCC=C(C)C)C([2H])([2H])[2H]
MolPort-046-683-754 0.61 C[C@H](CCC=C(C)C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-042-623-001 0.61 NCC1(O)CC2CC1C=C2
MolPort-000-701-749 0.61 CC1CC(C)=CC(C)C1CNCCO
MCULE-5632327052 0.61 CC1C(NCC2C3C=CC(CC3)C2)C1
MCULE-3947334491 0.61 C1CC(C2C3C=CC(CC3)C2)NC1
MCULE-1880935324 0.61 C([C@H]1[C@H]2C=C[C@H](CC2)C1)NC1CC1
MCULE-5202332149 0.61 CC1(NCC2C3C=CC(CC3)C2)CC1
MCULE-4481038186 0.61 C1CC23CN(C)CC2(CCCC3)CC=1
MCULE-1783708995 0.61 C(C1C2C=CC(CC2)C1)NC1CC1
MCULE-9930853722 0.61 C1C2C3C=CC(C2CN1)CC3
MCULE-8556029266 0.61 CN(CC1C2C=CC(C2)C1)CC1C2C=CC(C2)C1
MCULE-1509918825 0.61 N(C(C)CCCC(C)(C)O)C(C)CC/C=C(/C)\C
MCULE-2329507755 0.61 C(C1C2C=CC(CC2)C1)NC1CCC1
MCULE-2895855878 0.61 C(N1CCCC1)C1C2C=CC(CC2)C1
MCULE-1847393059 0.61 C1CC23CNCC2(CCCC3)CC=1
MCULE-9944420793 0.61 CC1C(NCC2C3C=CC(C3)C2)CCC1
MCULE-3779246208 0.61 OC(C1(CNC1)CC1CC=CCC1)=O
MCULE-4075616331 0.61 OC(C1CCCCC=1)CC1CNC1
MCULE-2767947794 0.61 C1=CC2CC1C(CN)(O)C2
MCULE-3658264641 0.61 NC1([C@@H]2C=C[C@@H](C2)C1)CO
MCULE-9903801290 0.61 C1C(C)C(CNCCO)C(CC=1C)C
MCULE-5147629027 0.61 C/C(/C)=C/C(C1C2NCC1C2)O
MCULE-5720487206 0.61 Cl.Cl.C[C@@]12[C@@H](N(CCCN(C)C)C)CC[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2
MCULE-4763257938 0.61 COCCCCNCC1C2C=CC(C2)C1
MCULE-3622596372 0.61 COC1CCC(N(CC2CC=CCC2)C)CC1
MCULE-5595980054 0.61 C12(C)CCC3(C([H])(C(O)CC4([H])CC(O)CCC34C)C1([H])CCC2([H])C(C)CCC(=O)NCC1CC2CC1C=C2)[H]
MCULE-6309505043 0.61 CN(C(NCC1CC=CCC1)=O)CC1C(O)CCCC1
MCULE-4757213252 0.61 [C@]12(C)CC[C@]3([C@@]([H])([C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]34C)[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)NCC1CC2CC1C=C2)[H]
MCULE-7752844529 0.61 OCC1(NC2CC2)[C@@H]2C=C[C@@H](C2)C1
MCULE-5809507316 0.61 OCC1(NC2CC2)C2C=CC(C2)C1
MCULE-4774957045 0.61 C1C(C)C(CNCC(C)C)C(CC=1C)C
MCULE-5004421163 0.61 CC(C(C1CCCCCC=1)O)(CN)C
MCULE-9898577720 0.61 CC(CC(C1CCCCCC=1)O)N
MCULE-8369588038 0.61 CC(C(C(C1CCCCCC=1)O)C)N
MCULE-9307022422 0.61 C1(CC2CC1C=C2)CN(CCO)CCO
MCULE-4436574111 0.61 OC1CN(CC2C3C=CC(CC3)C2)C1
MCULE-8614630058 0.61 COCC1(CCC1)CNC1[C@@H]2[C@@H](C=CC2)C1
MCULE-3986961784 0.61 CC(OCCCNCC1C2C=CC(C2)C1)C
MCULE-4622421578 0.61 CC1N(CC2C3C=CC(C3)C2)CC(C(=O)O)CC1
MolPort-028-784-723 0.61 COC1CCC(CC1)N(C)CC1CCC=CC1
MolPort-019-825-679 0.61 C[C@H](CCC(=O)NCC1CC2CC1C=C2)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-345-882 0.61 CC(CCC(=O)NCC1CC2CC1C=C2)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
MolPort-028-910-327 0.61 CN(CC1CCCCC1O)C(=O)NCC1CCC=CC1
MolPort-002-551-787 0.61 CC(C)CNCC1C(C)CC(C)=CC1C
MolPort-046-289-128 0.61 CC(O)(CN)C1CC2CC1C=C2
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