SANC00815 Calpurmenine



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Analog ID Similarity score SMILES

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Mcule | MolPort | All | None
MCULE-9906282991 0.90 CCC(C1(CCCCC1)O)C(N1CC(CN(C)C)(O)CCC1)=O
MCULE-2709467416 0.90 C1[C@@]2(O)CN3C(=O)CCC[C@]3([H])[C@]3([H])[C@@]2([H])N(CCC3)CC1
MolPort-039-338-505 0.90 O[C@]12CCCN3CCC[C@H]([C@H]4CCCC(=O)N4C1)[C@H]23
MolPort-002-515-920 0.88 O[C@H]1CCN2C[C@H]3C[C@@H](CN4[C@@H]3CCCC4=O)[C@@H]2C1
MolPort-000-737-142 0.88 O[C@H]1CCN2C[C@@H]3C[C@H](CN4[C@@H]3CCCC4=O)[C@@H]2C1
MolPort-019-822-864 0.86 OC1CCN(CC1)[C@@H]1CCN(C[C@H]1O)C(=O)C1CCCCCC1
MCULE-9838711168 0.86 N1(CC[C@H]([C@H](O)C1)N1CCC(CC1)O)C(C1CCCCCC1)=O
MCULE-5843806137 0.86 CCCC(NCC1CN(CC(CC(C2CC2)(O)C)O)CCC1)=O
MCULE-6605780207 0.86 N1C(C)(C)CC(CC1(C)C)CC(NCCCN1CCCC(O)C1)=O
MCULE-6460793118 0.86 CC(CNC1(CCN(C(CCCC2CC2)=O)CC1)CO)C
MolPort-044-691-721 0.86 CC1(C)CC(CC(=O)NCCCN2CCCC(O)C2)CC(C)(C)N1
MCULE-9658761708 0.85 OC1(C(N2CC3CCC(N(C4CC4)C3CC2)=O)=O)CCCC1
MCULE-2807530901 0.85 C12(CC3CC(CC(C3)(O)C1)C2)CC(NCCCN1CCCC(O)C1)=O
MCULE-5710013662 0.85 CC(CNC1(CCN(C(C2CC(C(N)=O)CCC2)=O)CC1)CO)C
MolPort-045-949-261 0.85 OC1CCCN(CCCNC(=O)CC23CC4CC(CC(O)(C4)C2)C3)C1
MolPort-028-782-154 0.85 OC1(CCCC1)C(=O)N1CCC2C(CCC(=O)N2C2CC2)C1
MolPort-042-607-464 0.84 CCCCCCCC(=O)N1CCCC(CN2CCC(O)C2)C1
MolPort-021-764-238 0.84 OCCCCN1[C@@H]2CCN(C[C@@H]2CCC1=O)C(=O)CCO
MCULE-1203633679 0.84 CNCC1CN(C(C2(C3(CNCCC3)O)CCC2)=O)CCC1
MCULE-5525450428 0.84 N1(CCCCO)C(=O)CC[C@H]2CN(C(=O)CCO)CC[C@@H]12
MCULE-1965098002 0.84 CC(CNC1(CCN(C(C2C(C3CCCC3)C2)=O)CC1)CO)C
MCULE-3346174461 0.84 CCCCCCCC(N1CC(CN2CC(O)CC2)CCC1)=O
MCULE-8036483873 0.84 CC(CNC1(CCN(C(C2C(C3CCCCC3)C2)=O)CC1)CO)C
MCULE-6221202523 0.84 CC(NC1(CCN(C(CCCC2CC2)=O)CC1)CO)C
MCULE-7243095706 0.84 CC(NCC1CN(C(C2(C3(CNCCC3)O)CCC2)=O)CCC1)=O
MolPort-044-702-734 0.83 OC1(CNC(=O)C2CCCCCC2)CCCNC1
MolPort-046-779-462 0.83 CC(C)N1CC(CN2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)CCC1=O
MolPort-027-872-837 0.83 C[C@@H]1CN(C[C@@]1(O)C1CCC1)C1CCN(CC1)C(=O)C1CC1
MolPort-044-703-566 0.83 O[C@H](C1CCCCC1)C(=O)NC[C@@H]1CCCN2CCCC[C@H]12
MolPort-039-320-271 0.83 CC(C)CN1CCCC(CNC(=O)C2(O)CCCCC2)C1
MolPort-044-695-794 0.83 OC1(CNC(=O)C23CC4CC(CC(C4)C2)C3)CCCNC1
MolPort-044-696-173 0.83 CC1(C)CC(CC(=O)N2CC[C@H](O)[C@H](O)C2)CC(C)(C)N1
MolPort-044-713-523 0.83 OC1(CNC(=O)CC2CCCC2)CCCNC1
MolPort-021-754-479 0.83 OCCCCN1[C@@H]2CCN(C[C@@H]2CCC1=O)C(=O)[C@@H]1CC[C@H](O)CC1
MCULE-5467313707 0.83 C(CC1CCCC1)(=O)NCC1(CCCNC1)O
MCULE-5661674069 0.83 N1(C2CCN(CC2)C(=O)C2CC2)C[C@H]([C@](O)(C2CCC2)C1)C
MCULE-4556183118 0.83 CC(CNC1(CCN(C(C2CC3C(C3)CC2)=O)CC1)CO)C
MCULE-6867754352 0.83 N1(CCCCO)C(=O)CC[C@H]2CN(C(=O)[C@H]3CC[C@H](CC3)O)CC[C@@H]12
MCULE-1248149192 0.83 N12CCCC[C@]1([H])[C@@H](CCC2)CNC(=O)[C@H](O)C1CCCCC1
MCULE-7779006006 0.83 CC(CNC1(CCN(C(C2C3C2CCCC3)=O)CC1)CO)C
MCULE-6694576441 0.83 CC(NC1(CCN(C(CC2(CCC2)O)=O)CC1)CO)C
MCULE-8572359746 0.83 C(C1CCCCCC1)(=O)NCC1(CCCNC1)O
MCULE-8896523429 0.83 C12(CC3CC(CC(C3)C1)C2)C(=O)NCC1(CCCNC1)O
MCULE-3967482944 0.83 N1(CC[C@@H]([C@H](O)C1)O)C(=O)CC1CC(C)(C)NC(C)(C)C1
MCULE-4722606219 0.83 CC(CNC1(CCN(C([C@H]2C[C@@H]3[C@@H](C3)C2)=O)CC1)CO)C
MCULE-1120440040 0.83 CC(CN1CC(CNC(C2(CCCCC2)O)=O)CCC1)C
MCULE-3919878994 0.83 OC1(C2(C(N[C@@H]3[C@@H]4[C@H]3CNC4)=O)CCC2)CNCCC1
MCULE-5838048482 0.83 CC(CNC1(CCN(C(CC2C(C)(C)CCCC2)=O)CC1)CO)C
MCULE-7583312288 0.83 C1(C)(C)C(C1(C)C)C(=O)N1CC[C@H]([C@H](O)C1)N1CCC(CC1)O
MCULE-7999335584 0.83 CC(NC1(CCN(C(C2C3(CC3)CCC2)=O)CC1)CO)C
MCULE-2300383565 0.83 CC(NC1(CCN(C(C2C(C3CC3)CCCC2)=O)CC1)CO)C
MCULE-5096080373 0.83 CC(CNC1(CCN(C(C2CCC(C)(C)CC2)=O)CC1)CO)C
MCULE-8189032700 0.83 CC(CNC1(CCN(C(CCC2CCC2)=O)CC1)CO)C
MCULE-7641394816 0.83 CC(CNC1(CCN(C(CC2(CCCCC2)C)=O)CC1)CO)C
MCULE-4929213016 0.83 C1(CO)(CC1)C(=O)N1CCCC2(CCC(N(CCC(C)C)C2)=O)C1
MCULE-1224597843 0.83 CC(CNC1(CCN(C(C2CCC(C(N(C)C)=O)CC2)=O)CC1)CO)C
MCULE-6657761832 0.83 CC(CNC1(CCN(C(CC2C(C)CCCC2)=O)CC1)CO)C
MCULE-1750956714 0.83 CC(CNC1(CCN(C(C2C(C)(C)CCC2)=O)CC1)CO)C
MCULE-9104713339 0.83 COCC(CN1CC2CCC(N(C3CC3)C2CC1)=O)O
MolPort-045-904-772 0.83 CC1(C)C(C(=O)N2CC[C@H]([C@H](O)C2)N2CCC(O)CC2)C1(C)C
MolPort-027-885-326 0.83 CC(C)CCN1CC2(CCCN(C2)C(=O)C2(CO)CC2)CCC1=O
MolPort-044-858-193 0.83 COCC(O)CN1CCC2C(CCC(=O)N2C2CC2)C1
MolPort-044-706-645 0.82 CC1(CCC(=O)NCCCN2CCCC(O)C2)CC1
MolPort-005-119-246 0.82 OC1CCN(CC2(O)CCCN(CCC3CCCCC3)C2=O)CC1
MolPort-005-130-312 0.82 OC1CCN(CC2(O)CCCN(CC3CCCCC3)C2=O)CC1
MCULE-2214723857 0.82 CC(CNC1(CCN(C(CC(CC(C)(C)C)C)=O)CC1)CO)C
MCULE-3412024245 0.82 C1(C)(CCC(NCCCN2CCCC(O)C2)=O)CC1
MCULE-4078578585 0.82 CC(NC1(CCN(C(CC(C2CC2)C)=O)CC1)CO)C
MCULE-3898748633 0.82 C1(CCCN(CC2CCCCC2)C1=O)(O)CN1CCC(CC1)O
MCULE-5300044825 0.82 C1(CCCN(CCC2CCCCC2)C1=O)(O)CN1CCC(CC1)O
MCULE-9990932219 0.82 OC(CN1CCCCC1)CNC(C12CC3CC(C1)(CC(C3)C2)O)=O
MCULE-6529957643 0.82 CN1CCC(N(C(CC2(CCCC2)O)=O)CCO)CC1
MolPort-045-913-496 0.81 OCC1CCCCN1CCCNC(=O)[C@@H]1CC[C@H](O)CC1
MolPort-044-538-415 0.81 CC1CC(CC(C)(C)C1)C(=O)N1CCC(CC1)N1CCC(O)C1
MolPort-045-919-994 0.81 OCC1CCCCN1CCCNC(=O)[C@H]1CC[C@H](O)CC1
MolPort-044-690-807 0.81 CN(C)CC1(CO)CCCN(C1)C(=O)CCC1CCC1
MolPort-044-537-160 0.81 CC(C)CNC1(CO)CCN(CC1)C(=O)CC1CC2CCC1C2
MolPort-044-714-656 0.81 CN(C)CC1(CO)CCCN(C1)C(=O)CC1CCCC1
MolPort-003-848-156 0.81 OCC(O)C(O)C(O)C(O)C(=O)NCCCNCCCNC(=O)C(O)C(O)C(O)C(O)CO
MolPort-027-886-141 0.81 OCC1(CC2CC2)CCCN(C1)C1CCN(CC1)C(=O)C1CCC1
MolPort-044-682-563 0.81 OCC1CCCCN1CCCNC(=O)CC1CCCCC1
MolPort-046-779-966 0.81 CC(C)N1CC(CN(C)CC2(CO)CCCC2)CCC1=O
MolPort-044-712-799 0.81 OCC1CCCCN1CCCNC(=O)CCC1CCCC1
MolPort-044-705-705 0.81 CC1(CCCCC1)C(=O)NCCCN1CCCCC1CO
MolPort-046-777-740 0.81 CN(CC1CCC(=O)N(C)C1)CC1(CO)CCCC1
MolPort-021-763-650 0.81 CC(C)CN1[C@@H]2CCN(C[C@@H]2CCC1=O)C(CO)CO
MolPort-027-882-382 0.81 OCC(=O)N1CCCC2(CCC(=O)N(CC3CC3)C2)C1
MCULE-3503504662 0.81 N1(CCCC(CO)(CN(C)C)C1)C(=O)CC1CCCC1
MCULE-7649660096 0.81 CC(NC1(CCN(C(C2CC3C(C3)CC2)=O)CC1)CO)C
MCULE-9598142157 0.81 OC1(C2(C(N3CCC(NCC4CC4)CC3)=O)CCC2)CCNCC1
MCULE-9629276765 0.81 CC(CNC1(CCN(C(CC2C3CC(CC3)C2)=O)CC1)CO)C
MCULE-3281041884 0.81 CN1CC2CCCN(C(C(C(O)(C)C)O)=O)C2CC1
MCULE-9897259167 0.81 CC1CC(C)(C)CC(C(N2CCC(N3CC(O)CC3)CC2)=O)C1
MCULE-6781530102 0.81 N1(CCCCC1CO)CCCNC(=O)[C@H]1CC[C@H](CC1)O
MCULE-7915614436 0.81 N1(CCCC(CO)(CN(C)C)C1)C(CCC1CCC1)=O
MCULE-7890925501 0.81 CC(NC1(CCN(C(CC2C3CC3CC2)=O)CC1)CO)C
MCULE-2052662538 0.81 OC1CC(NC([C@H]2CN(C(C3(CC3)O)=O)CCC2)=O)CCC1
MCULE-8545583962 0.81 CCCC(N1CC(C(N2[C@H](CO)[C@H](CO)CCC2)=O)CCC1)=O
MCULE-4534712184 0.81 OC1(C2(C(N3C[C@@H]4[C@@H](CNC4)C3)=O)CCC2)CNCCC1
MCULE-3291462135 0.81 N1(CCCCC1CO)CCCNC(CC1CCCCC1)=O
MCULE-7904567075 0.81 CC(NC1(CCN(C(CCCC2CCCCC2)=O)CC1)CO)C
MCULE-8582720847 0.81 N1(CCC(CC1)N1CCCC(CO)(CC2CC2)C1)C(C1CCC1)=O
MCULE-4423746083 0.81 C(NCCCN1CCCCC1CO)(=O)C1(CCCCC1)C
MCULE-6270610252 0.81 CC(NC1(CCN(C(C2CC(C)CC(C)C2)=O)CC1)CO)C
MCULE-3562631107 0.81 CN(C1CCN(C(C2CC3CC(CC(C3)O)C2)=O)CC1)CCCO
MCULE-2850730103 0.81 CC(NC1(CCN(C(CC(C2CCCCC2)C)=O)CC1)CO)C
MCULE-9582864040 0.81 CCC(C(N1CCC(NC(C)C)(CO)CC1)=O)CC1CCCC1
MCULE-8237237557 0.81 CCCCC1CCC(C(N2CCC(NC(C)C)(CO)CC2)=O)CC1
MCULE-8434807944 0.81 CC(NC1(CCN(C(C23CC4(CC(CC(C4)(C2)C)C3)C)=O)CC1)CO)C
MCULE-4914369286 0.81 N1(CC(C)C)C(=O)CC[C@H]2CN(C(CO)CO)CC[C@@H]12
MCULE-6010881624 0.81 CC(NC1(CCN(C([C@@H]2CC[C@@H](C(C)C)CC2)=O)CC1)CO)C
MCULE-5084679551 0.81 CC(NC1(CCN(C(C2(CCCCCC2)C)=O)CC1)CO)C
MCULE-9086460218 0.81 CC(NC1(CCN(C(C2(CCCCC2)C)=O)CC1)CO)C
MCULE-7310291891 0.81 N1(CC2CC2)CC2(CCCN(C(CO)=O)C2)CCC1=O
MCULE-3134468392 0.81 CCC1C(C(N2CCC(NC(C)C)(CO)CC2)=O)CCC1
MCULE-7942255265 0.81 N1(CCCCC1CO)CCCNC(CCC1CCCC1)=O
MCULE-2220315126 0.81 CC(NC1(CCN(C(CC(C2CCC2)C2CCC2)=O)CC1)CO)C
MCULE-6514654092 0.81 C1(=O)C(CCCN1CC1CC1)(CNCC1(O)C2CC3CC1CC(C3)C2)O
MCULE-1634638754 0.81 CC(N1CC(C(N2[C@H](CO)[C@H](CO)CCC2)=O)CCC1)C
MCULE-5049609992 0.81 CCCN1CC(C(N2[C@H](CO)[C@H](CO)CCC2)=O)CCC1
MCULE-2541466100 0.81 OC1(C2(C(NC3CCNCC3)=O)CCC2)CNCCC1
MCULE-8248591974 0.81 CC(CCC(CN1CCC(N2C(=O)CCCC2)CC1)O)C
MCULE-6840664680 0.81 CCCCC(C(N1CCC(NC(C)C)(CO)CC1)=O)C
MCULE-2251134174 0.81 CC(NC1(CCN(C(CCCC(C)(C)C)=O)CC1)CO)C
MCULE-8058478623 0.81 CCCCCC(N1CCC(NC(C)C)(CO)CC1)=O
MCULE-9654101876 0.81 CCC(CCC(N1CCC(NC(C)C)(CO)CC1)=O)C
MCULE-9831883759 0.81 CC(NC1(CCN(C(CC(CC(C)(C)C)C)=O)CC1)CO)C
MCULE-4690172157 0.81 N1(C)CCC(CC1)CCC(NCCCN1CCCC(O)C1)=O
MCULE-1634618523 0.81 C1(=O)C(CCCN1CC1CCCCC1)(O)CN[C@H]1CC[C@@H](CC1)O
MolPort-019-891-290 0.81 OC1(CNCC2(O)C3CC4CC(C3)CC2C4)CCCN(CC2CC2)C1=O
MolPort-045-910-626 0.81 CN1CCC(CCC(=O)NCCCN2CCCC(O)C2)CC1
MolPort-039-086-157 0.81 CC(C)CCC(O)CN1CCC(CC1)N1CCCCC1=O
MolPort-005-036-242 0.81 O[C@H]1CC[C@@H](CC1)NCC1(O)CCCN(CC2CCCCC2)C1=O
MolPort-029-943-664 0.80 CC(=O)N1CCC(CC1)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
MolPort-046-177-829 0.80 CC1(C)CC(CC(=O)NCC2(O)CCNC2)CC(C)(C)N1
MolPort-046-596-397 0.80 C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
MolPort-003-926-569 0.80 C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-002-528-069 0.80 C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-000-726-769 0.80 C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1CCC2C3CCC4C[C@H](O)CCC4(C)C3C[C@H](O)C12C
MolPort-035-783-861 0.80 C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[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]3C[C@H](O)[C@]12C
MCULE-9619043087 0.80 N1C(C)(C)CC(CC1(C)C)CC(=O)NCC1(CNCC1)O
MCULE-6717807464 0.80 [C@@]12([H])CC[C@]3([H])C[C@@H](CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O
MCULE-1590655725 0.80 C12(C)[C@@H]([C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O)CCC1C1C(C3(C)CC[C@H](CC3CC1)O)C[C@@H]2O
MCULE-4887344567 0.80 [C@@]12([H])[C@H](O)C[C@]3([H])C[C@@H](CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O
MCULE-9869432872 0.80 C[C@H]1N(C(CC2(CCCCC2)O)=O)CCC[C@H]1O
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MCULE-3472555052 0.80 C1(CNC(=O)[C@H](O)C2CCCCC2)(CN2CCCC2)CC1
MCULE-3068770823 0.80 CCC(C1(CCCCC1)O)C(N1[C@H](C)[C@H](O)CCC1)=O
MCULE-6618436371 0.80 CC(N1CC(C(N2C3(CCCCC3)C(O)CC2)=O)CCC1)C
MCULE-8252757663 0.80 CN1C(=O)C(C(N2[C@H](CO)[C@H](CO)CCC2)=O)CCC1
MCULE-8480258623 0.80 OC(CN1CCCCC1)CNC(C1CC2CC(CC(C2)O)C1)=O
MCULE-7077202017 0.80 OC1(CCCC1)CC(N1CC(CN2CCCCC2)CCC1)=O
MCULE-8995907321 0.80 CC(C(N1CCC(NCC2CC2)CC1)=O)(C1CCC1)O
MCULE-4123997046 0.80 CN1C2C(CN(C(C[C@H]3[C@H](O)CCC3)=O)CC2)CCC1
MCULE-7408482894 0.80 OC(C1CC1)CC(N1CC(C2CC2)(O)CCC1)=O
MCULE-8254869442 0.80 CC(NC1(CCN(C(CC2C3CC(CC3)C2)=O)CC1)CO)C
MCULE-8139230827 0.80 N([C@@H]1CCNC[C@H]1O)C(CCC1CCCC1)=O
MCULE-2820014436 0.80 N1(CC2(C)CN(CC(C2)(C)C1)C)C(=O)C12CC3CC(CC)(CC(C3)(O)C1)C2
MCULE-6160005260 0.80 CCC(C1N(C(CC(C2CC2)(O)C)=O)CCCC1)O
MolPort-044-678-776 0.80 O[C@H]1CCN(CCC(=O)NC2CCCCCCC2)C[C@@H]1O
MolPort-044-720-623 0.80 O[C@H](C1CCCCC1)C(=O)NCC1(CN2CCCC2)CC1
MolPort-045-944-403 0.80 CCC12CC3CC(O)(C1)CC(C3)(C2)C(=O)N1CC2(C)CN(C)CC(C)(C1)C2
MolPort-044-676-525 0.80 O[C@@H]1CNCC[C@H]1NC(=O)CCC1CCCC1
MolPort-044-704-940 0.80 O[C@@H]1CNCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-044-465-794 0.80 OC1(CC(=O)N2CCCC(CN3CCCCC3)C2)CCCC1
MolPort-027-869-263 0.79 OC[C@H]1CN(C[C@H]1CN1CCCCC1)C(=O)[C@@H]1CC[C@H](O)CC1
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