SANC00816 13-(2'-Pyrrolecarboxyl)calpurmenine




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-5069880905 0.72 C1C=C(N=CC=1)C(=O)OCC1CCC[N+]2(CCCCC21)C
MCULE-3584709047 0.71 [I-].C1C=C(N=CC=1)C(=O)OCC1CCC[N+]2(CCCCC21)C
MolPort-023-183-325 0.68 CN1C=CC=C1C(=O)OCC1CCCN(C1)C(=O)C1=CC=CC=C1
MCULE-4144488204 0.68 CN1C(C(OCC2CN(C(C3=CC=CC=C3)=O)CCC2)=O)=CC=C1
MolPort-029-913-002 0.67 CC(C)N1C=CC=C1C(=O)OC1CCN(CC1)C=O
MolPort-042-630-209 0.67 O=C(CC1CCCOC1)N1CCC(CC1)OCC1=NC=CC=C1
MCULE-7848902970 0.67 CC(N1C(C(OC2CCN(C=O)CC2)=O)=CC=C1)C
MCULE-1903296252 0.67 N1(CCC(CC1)OCC1C=CC=CN=1)C(=O)CC1CCCOC1
MCULE-9954522180 0.67 CCN1CCC(C(OC(C2N(C)C=CC=2)=O)C)CC1
MCULE-1357687189 0.67 CN1C(C(OCCC2N(C(C3N(C)C=CC=3)=O)CCCC2)=O)=CC=C1
MolPort-023-241-182 0.67 CCN1CCC(CC1)C(C)OC(=O)C1=CC=CN1C
MolPort-028-263-007 0.67 CN1C=CC=C1C(=O)OCCC1CCCCN1C(=O)C1=CC=CN1C
MolPort-046-782-292 0.67 CC(C)N1CC(CN2CCC(CC2)OCC2=NC=CC=C2)CCC1=O
MolPort-042-566-351 0.66 O=C(CC1CCOC1)N1CCC(CC1)OCC1=NC=CC=C1
MCULE-4737358607 0.66 N1(CCC(CC1)OCC1C=CC=CN=1)C(=O)CC1CCOC1
MCULE-9557342226 0.66 O=C([C@@]12CCO[C@@H]1CCC2)N1CC(OCC2=NC=CC=C2)CC1
MCULE-3345234141 0.66 O=C(C1=NC=CC=C1)OCC1CC(=O)N(C2CC2)C1
MolPort-028-313-617 0.66 O=C(OCC1CN(C2CC2)C(=O)C1)C1=CC=CC=N1
MolPort-004-154-739 0.65 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C1=CC=CN1C
MolPort-035-859-583 0.65 O=C(CCN1CCCCCC1=O)N1CCC(CC1)OCC1=NC=CC=C1
MolPort-009-235-561 0.65 CC(OC(=O)C1=CC=CN1C)C(=O)C12CC3CC(CC(C3)C1)C2
MolPort-004-115-263 0.65 CN1C=CC=C1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2
MCULE-2565416629 0.65 CCOC(C1CCN(C(COC(C2N(C)C=CC=2)=O)=O)CC1)=O
MCULE-4713465932 0.65 N1(CCC(CC1)OCC1C=CC=CN=1)C(=O)CCN1CCCCCC1=O
MCULE-9405423877 0.65 CN1C(C(OCC(C23CC4CC(C2)CC(C4)C3)=O)=O)=CC=C1
MCULE-6965652791 0.65 CC(C(C12CC3CC(C1)CC(C3)C2)=O)OC(C1N(C)C=CC=1)=O
MCULE-1001627926 0.65 OC1(COCC1)CC(N1CC(OCC2=NC=CC=C2)CC1)=O
MCULE-1379141642 0.65 COC(C1N(C2CCN(C(CCOC(C)C)=O)CC2)C=CC=1)=O
MCULE-4481880168 0.65 OC(C1N(C2CCN(C(CCC3OCCCC3)=O)CC2)C=CC=1)=O
MCULE-6868581145 0.65 CN1C(C(OC2CCN(CC(F)(F)F)CC2)=O)=CC=C1
MCULE-5312434993 0.65 COC(C1N(C2CCN(C(C3OCCC3)=O)CC2)C=CC=1)=O
MolPort-028-765-092 0.65 OC(=O)C1=CC=CN1C1CCN(CC1)C(=O)CCC1CCCCO1
MolPort-020-073-611 0.65 COC(=O)C1=CC=CN1C1CCN(CC1)C(=O)CCOC(C)C
MolPort-023-179-128 0.65 CN1C=CC=C1C(=O)OC1CCN(CC(F)(F)F)CC1
MolPort-027-652-677 0.65 COC(=O)C1=CC=CN1C1CCN(CC1)C(=O)C1CCCO1
MolPort-028-269-754 0.64 CC(C)OC(=O)N1CCC(CC1)OC(=O)C1=CC=CN1C
MolPort-028-284-297 0.64 CN1C=CC=C1C(=O)OCC1CCN(CC(F)(F)F)CC1
MolPort-027-896-265 0.64 CCCC(=O)N1CCC(CC1)OC(=O)C1=NC=CC2=CC=CC=C12
MolPort-008-359-697 0.64 CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)N1CCC(CC1)OCC1=NC=CC=C1
MolPort-038-417-542 0.64 O=C(N1CCCC(C1)OCC1=NC=CC=C1)C12CC3CC(CC(C3)C1)C2
MCULE-3085786738 0.64 CC(OC(N1CCC(OC(C2N(C)C=CC=2)=O)CC1)=O)C
MCULE-5848870979 0.64 CN1C(C(OCC2CCN(CC(F)(F)F)CC2)=O)=CC=C1
MCULE-6629013166 0.64 CCCC(N1CCC(OC(C2=C3C(C=CC=C3)=CC=N2)=O)CC1)=O
MCULE-9733855287 0.64 C12(CC3CC(CC(C3)(C)C1)(C)C2)C(=O)N1CCC(CC1)OCC1C=CC=CN=1
MCULE-2161807770 0.64 C12(CC3CC(CC(C3)C1)C2)C(=O)N1CCCC(C1)OCC1C=CC=CN=1
MCULE-9963583255 0.64 O=C(C1N(C2CC2)C=CC=1)OC1CCC2(OCCO2)CC1
MCULE-1207415274 0.64 CC(C1C(OC(COC(C2N(C)C=CC=2)=O)=O)CC(C)CC1)C
MCULE-9685694346 0.64 CC(C(NC1CCCCCC1)=O)OC(C1NC=CC=1)=O
MCULE-3014495490 0.64 COC(NC1CCC(OC(C2N(C)C(C)=CC=2)=O)CC1)=O
MCULE-4346012439 0.64 C(=O)(N1CCC(CC1)OCC1C=CC=CN=1)C1CCC(N(CC)C1)=O
MCULE-3428254387 0.64 NC1C2CC(C(N3CC(OCC4C=CC=CN=4)CC3)=O)CC1CCC2
MolPort-029-912-994 0.64 O=C(OC1CCC2(CC1)OCCO2)C1=CC=CN1C1CC1
MolPort-005-601-063 0.64 CC(OC(=O)C1=CC=CN1)C(=O)NC1CCCCCC1
MolPort-004-016-409 0.64 CC(C)C1CCC(C)CC1OC(=O)COC(=O)C1=CC=CN1C
MolPort-035-841-268 0.64 COC(=O)NC1CCC(CC1)OC(=O)C1=CC=C(C)N1C
MolPort-027-864-008 0.64 CCN1CC(CCC1=O)C(=O)N1CCC(CC1)OCC1=NC=CC=C1
MolPort-028-287-063 0.63 CC1(CCCN(C1)C(=O)C1=CC=CC=C1)C(=O)OCC1=CC=CC=N1
MolPort-038-400-447 0.63 O=C(N[C@@H]1CCOC[C@H]1OCC1=NC=CC=C1)C1CCC1
MolPort-035-752-551 0.63 COC(=O)C1CCCC(C1)OC(=O)C1=CC=CN1C
MolPort-029-910-144 0.63 CCNC(=O)NC1CCC(CC1)OC(=O)C1=CC=CN1C(C)C
MolPort-038-417-688 0.63 NC(=O)C1(CC1)C(=O)N[C@@H]1CCOC[C@H]1OCC1=NC=CC=C1
MolPort-027-929-920 0.63 CN1C=CC=C1C(=O)OCC1CN(CC2=CC=CC=C2)CC1COC(=O)C1=CC=CN1C
MCULE-3440055113 0.63 CC1(C(OCC2=NC=CC=C2)=O)CN(C(C2=CC=CC=C2)=O)CCC1
MCULE-5762016101 0.63 C(C1CCC1)(=O)N[C@@H]1CCOC[C@H]1OCC1C=CC=CN=1
MCULE-9665381830 0.63 COC(C1CC(OC(C2N(C)C=CC=2)=O)CCC1)=O
MCULE-7695937828 0.63 CCNC(NC1CCC(OC(C2N(C(C)C)C=CC=2)=O)CC1)=O
MCULE-3814548016 0.63 C1(C(N)=O)(CC1)C(=O)N[C@@H]1CCOC[C@H]1OCC1C=CC=CN=1
MCULE-7763831897 0.63 CN1C(C(OCC2C(COC(C3N(C)C=CC=3)=O)CN(CC3=CC=CC=C3)C2)=O)=CC=C1
MCULE-6103766451 0.63 O=C(C1=NC2=C(C=CC=C2)C=C1)OCC1CC(=O)N(C2CC2)C1
MCULE-8166300015 0.63 COC(C1N(C2CCN(C(CC3CCCCC3)=O)CC2)C=CC=1)=O
MCULE-2527773416 0.63 CN1C(C(OCCCN2CCOCC2)=O)=CC=C1
MCULE-4544455349 0.63 COC(C1N(C2CCN(C(COCC3CC3)=O)CC2)C=CC=1)=O
MCULE-6054392778 0.63 C(=O)(C1(CCCO1)C)N1CCC(CC1)OCC1C=CC=CN=1
MCULE-4863291842 0.63 CN1C(C(OC2CCC(NC(OCC(F)(F)F)=O)CC2)=O)=CC=C1
MCULE-9437270807 0.63 C(=O)(C1CCCO1)N1CCC(CC1)OCC1C=CC=CN=1
MCULE-6685840236 0.63 N1(CCC(CC1)OCC1C=CC=CN=1)CC1(CCCNC1)O
MCULE-8709887848 0.63 N1(CCC(CC1)OCC1C=CC=CN=1)C(COCC1CCCCO1)=O
MCULE-8420190579 0.63 CC1([C@@H](C(N2CC(OCC3C=CC=CN=3)CC2)=O)[C@H]1C(=O)O)C
MolPort-023-242-620 0.63 O=C(OCC1CN(C2CC2)C(=O)C1)C1=NC2=CC=CC=C2C=C1
MolPort-023-182-111 0.63 CN1C=CC=C1C(=O)OCCCN1CCOCC1
MolPort-020-139-336 0.63 COC(=O)C1=CC=CN1C1CCN(CC1)C(=O)CC1CCCCC1
MolPort-038-394-022 0.63 O=C(C1CCCO1)N1CCC(CC1)OCC1=NC=CC=C1
MolPort-023-149-181 0.63 CN1C=CC=C1C(=O)OC1CCC(CC1)NC(=O)OCC(F)(F)F
MolPort-042-577-765 0.63 CC1(CCCO1)C(=O)N1CCC(CC1)OCC1=NC=CC=C1
MolPort-020-073-609 0.63 COC(=O)C1=CC=CN1C1CCN(CC1)C(=O)COCC1CC1
MolPort-023-272-261 0.63 OC1(CN2CCC(CC2)OCC2=NC=CC=C2)CCCNC1
MolPort-039-041-871 0.63 O=C(COCC1CCCCO1)N1CCC(CC1)OCC1=NC=CC=C1
MolPort-028-298-661 0.63 CN1C=CC=C1C(=O)OCC1CCCN1C(N)=O
MolPort-004-234-927 0.62 CC1CCCC(NC(=O)COC(=O)C2=CC=CN2)C1C
MolPort-038-420-060 0.62 CC(C)CN1CCC(CC1)N[C@@H]1CCOC[C@H]1OCC1=NC=CC=C1
MolPort-004-982-532 0.62 CC(C)CN1CC(CN(CC1=O)C(=O)C1CC(=O)OC11CCCCC1)OCC1=NC=CC=C1
MolPort-004-033-073 0.62 CN1C=CC=C1C(=O)OCC(=O)NC(=O)C1CCCCC1
MolPort-035-830-158 0.62 COC(=O)C1=CC=CN1C1CCN(CC1)C(=O)CC1CCC1
MolPort-028-047-075 0.62 CCCNC(=O)CCCC(=O)OCC1=CC=CC=N1
MolPort-005-696-196 0.62 CC(OC(=O)C1=CC=CN1C)C(=O)NCC1CCCCC1
MCULE-4569801251 0.62 CN1C(C(OCC2N(C(N)=O)CCC2)=O)=CC=C1
MCULE-4613069627 0.62 N1(CC(C)C)CCC(CC1)N[C@@H]1CCOC[C@H]1OCC1C=CC=CN=1
MCULE-9600227177 0.62 CC1C(C)C(NC(COC(C2NC=CC=2)=O)=O)CCC1
MCULE-5198805748 0.62 N1(CC(OCC2C=CC=CN=2)CN(CC(C)C)C(=O)C1)C(=O)C1CC(OC21CCCCC2)=O
MCULE-3057082818 0.62 CN1C(C(OCC(NC(C2CCCCC2)=O)=O)=O)=CC=C1
MCULE-8604379859 0.62 CCCNC(CCCC(OCC1=NC=CC=C1)=O)=O
MCULE-8550239167 0.62 COC(C1N(C2CCN(C(CC3CCC3)=O)CC2)C=CC=1)=O
MCULE-6812304759 0.62 CC(C(NCC1CCCCC1)=O)OC(C1N(C)C=CC=1)=O
MCULE-8279964978 0.62 CC(N1C(C(OCCN2C(=O)CCCCC2)=O)=CC=C1)C
MCULE-7342269559 0.62 CCN1C(=O)CC(COC(C2=C3C(C=CC=C3)=CC=N2)=O)C1
MCULE-3963722355 0.62 O=C(C1CNC(=O)CC1)OCC1=C2C(C=CC=C2)=C2C(C=CC=C2)=N1
MolPort-029-910-145 0.62 CC(C)N1C=CC=C1C(=O)OCCN1CCCCCC1=O
MolPort-028-280-555 0.62 CCN1CC(COC(=O)C2=NC=CC3=CC=CC=C23)CC1=O
MolPort-027-943-111 0.62 O=C(OCC1=NC2=C(C=CC=C2)C2=C1C=CC=C2)C1CCC(=O)NC1
MolPort-029-912-997 0.61 O=CN1CCC(CC1)OC(=O)C1=NC2=CC=CC=C2C=C1
MolPort-045-940-047 0.61 C[C@H]1CN(CCC(=O)N2CCCC(C2)OCC2=NC=CC=C2)C[C@@H](C)O1
MolPort-004-223-220 0.61 COC(=O)C1CCN(CC1)C(=O)COC(=O)C1=CC2=CC=CC=C2N1
MolPort-027-644-157 0.61 CC(=O)N1CCC(CC1)NC(=O)COC(=O)C1=CC2=CC=CC=C2N1
MolPort-019-680-168 0.61 CCCC(C)C(=O)N1CCC(CC1)N1C=CC=C1C(=O)OC
MolPort-005-546-276 0.61 CC(OC(=O)C1=CC=CN1C)C(=O)N1CCC(C)CC1
MolPort-005-546-272 0.61 CC1CCCCN1C(=O)COC(=O)C1=CC=CN1C
MCULE-1003289784 0.61 O=CN1CCC(OC(C2=NC3=C(C=CC=C3)C=C2)=O)CC1
MCULE-1126446994 0.61 N1(CCCC(C1)OCC1C=CC=CN=1)C(=O)CCN1C[C@@H](C)O[C@@H](C)C1
MCULE-4025128172 0.61 COC(C1CCN(C(COC(C2NC3=C(C=CC=C3)C=2)=O)=O)CC1)=O
MCULE-6734494822 0.61 CC(N1CCC(NC(COC(C2NC3=C(C=CC=C3)C=2)=O)=O)CC1)=O
MCULE-3425998120 0.61 CCCC(C(N1CCC(N2C(C(OC)=O)=CC=C2)CC1)=O)C
MCULE-6705505703 0.61 CC1N(C(COC(C2N(C)C=CC=2)=O)=O)CCCC1
MCULE-1331295139 0.61 CC(C(N1CCC(C)CC1)=O)OC(C1N(C)C=CC=1)=O
MCULE-1609932502 0.61 C(=O)(N1CCC(CC1)OCC1C=CC=CN=1)C1CCCN(C(N)=O)C1
MCULE-5318766021 0.61 CC(C(C(N1CC(C)CC(C)C1)=O)OC(C1NC=C(Cl)C=1)=O)C
MCULE-2624898278 0.61 C1(CN2C=CN=C2)(CC1)C(=O)N[C@@H]1CCOC[C@H]1OCC1C=CC=CN=1
MCULE-7857294195 0.61 N1(C2CC2)CC(CC1=O)C(=O)N1CCC(CC1)OCC1C=CC=CN=1
MCULE-4763598140 0.61 CC1N(C)C(C(OC2C(C)(C)CNC2=O)=O)=CC=1
MCULE-8332585501 0.61 CCOC(C1N(C(COC(C2=NC3=C(C=CC=C3)C=C2)=O)=O)CCCC1)=O
MCULE-7918215891 0.61 CN1C(C(OCC(N2CCCCCC2)=O)=O)=CC=C1
MCULE-1039698061 0.61 CN1C(C(OCC(NC2CCCCCC2)=O)=O)=CC=C1
MCULE-1356463135 0.61 CC1C(C)C(NC(COC(C2N(C)C=CC=2)=O)=O)CCC1
MCULE-7272772167 0.61 CC1C(NC(COC(C2N(C)C=CC=2)=O)=O)CCCC1
MCULE-9234614114 0.61 CC1N(C)C(C(OCC2CC(=O)N(CC3=CC=CC=C3)C2)=O)=CC=1
MolPort-027-830-680 0.61 NC(=O)N1CCCC(C1)C(=O)N1CCC(CC1)OCC1=NC=CC=C1
MolPort-035-835-792 0.61 CC(C)C(OC(=O)C1=CC(Cl)=CN1)C(=O)N1CC(C)CC(C)C1
MolPort-038-395-272 0.61 O=C(N[C@@H]1CCOC[C@H]1OCC1=NC=CC=C1)C1(CN2C=CN=C2)CC1
MolPort-027-810-913 0.61 O=C(C1CN(C2CC2)C(=O)C1)N1CCC(CC1)OCC1=NC=CC=C1
MolPort-009-374-145 0.61 CCOC(=O)C1CCCCN1C(=O)COC(=O)C1=NC2=CC=CC=C2C=C1
MolPort-004-043-373 0.61 CC(NC(=O)COC(=O)C1=CC=CN1C)C12CC3CC(CC(C3)C1)C2
MolPort-004-026-457 0.61 CC1CCCCC1NC(=O)COC(=O)C1=CC=CN1C
MolPort-003-198-533 0.61 CN1C=CC=C1C(=O)OCC(=O)NC1CCCCCC1
MolPort-003-197-395 0.61 CC1CCCC(NC(=O)COC(=O)C2=CC=CN2C)C1C
MolPort-035-747-012 0.61 CN1C=CC=C1C(=O)OCC(=O)N1CCCCCC1
MolPort-029-908-164 0.61 CN1C(C)=CC=C1C(=O)OCC1CN(CC2=CC=CC=C2)C(=O)C1
MolPort-038-982-297 0.60 CCCC(=O)N1CCCC(C1)C(=O)OCC1=CC=CC(Br)=N1
MolPort-005-546-799 0.60 CC1CCCN(C1)C(=O)COC(=O)C1=CC=CN1C
MolPort-046-186-612 0.60 O=C(N1CCC(CC1)N1CCC(CC1)OCC1=NC=CC=C1)C1=CC=NC=C1
MolPort-038-399-007 0.60 CC(CCC(=O)N1CCC(CC1)OCC1=NC=CC=C1)N1CCOCC1
MolPort-023-264-443 0.60 CC(C)N1CC(CC1=O)C(=O)N1CCC(CC1)OCC1=NC=CC=C1
MolPort-027-813-133 0.60 CC(C)(C)N1CC(CC1=O)C(=O)N1CCC(CC1)OCC1=NC=CC=C1
MolPort-046-185-916 0.60 O=C(N1CCC(CC1)N1CCCC(C1)OCC1=NC=CC=C1)C1=CN=CC=C1
MolPort-028-298-650 0.60 CN1C(C)=CC=C1C(=O)OCC1CCCN1C(N)=O
MCULE-9099549715 0.60 O=C(N1CC(OCC2=NC=CC=C2)CC1)C1CN(C2CCOCC2)C1
MCULE-7295393913 0.60 CCCC(N1CC(C(OCC2=NC(Br)=CC=C2)=O)CCC1)=O
MCULE-2341927230 0.60 CC1CN(C(COC(C2N(C)C=CC=2)=O)=O)CCC1
MCULE-2211530229 0.60 C(C1C=CN=CC=1)(=O)N1CCC(CC1)N1CCC(CC1)OCC1C=CC=CN=1
MCULE-8164742144 0.60 C(=O)(C1C=CC=NC=1)N1CCC(CC1)N1CCCC(C1)OCC1C=CC=CN=1
MCULE-3370042218 0.60 N1(C(C)C)CC(CC1=O)C(=O)N1CCC(CC1)OCC1C=CC=CN=1
MCULE-9706062860 0.60 N1(CCC(CC1)OCC1C=CC=CN=1)C(=O)CCC(C)N1CCOCC1
MCULE-2473153238 0.60 CCC(C(C(N1CC(OCC2=NC=CC=C2)CC1)=O)C)O
MCULE-5419269912 0.60 N1(C(C)(C)C)CC(CC1=O)C(=O)N1CCC(CC1)OCC1C=CC=CN=1
MCULE-7707079338 0.60 CC1N(C)C(C(OCC2N(C(N)=O)CCC2)=O)=CC=1
MCULE-7181261345 0.60 NC(N1C(COC(C2NC3=C(C=CC=C3)C=2)=O)CCC1)=O
MCULE-4971264242 0.60 CC(C(NC1CCCC1)=O)OC(C1N(C)C=CC=1)=O
MCULE-9694663824 0.60 CN1C(C(OCC(N(C2CCCC2)C2CC2)=O)=O)=CC=C1
MCULE-6525836903 0.60 CC(N1C(C(O[C@@H]2C(C)(C)COC2=O)=O)=CC=C1)C
MCULE-9018207580 0.60 CN1C(C(OCC(N2CCCCC2)=O)=O)=CC=C1
MCULE-7368360743 0.60 CCOC1C(CC)(CC)C(OC(C2N(C)C=CC=2)=O)C1