SANC00339 Buphanidrine




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-002-514-617 0.74 COC1=C2C(C\C(O)=C\C(C)=O)N(C)CCC2=CC2=C1OCO2
MolPort-002-522-202 0.72 COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
MolPort-002-516-603 0.72 COC1=C2C(CC(O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-515-612 0.72 COC1=CC(CCC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
MCULE-3411300988 0.72 C12=C(CCN(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
MCULE-2028522222 0.72 C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
MCULE-9318246296 0.72 C12=C(CCN(C)C1CC(O)C(C)C)C=C1C(OCO1)=C2OC
MCULE-5660778036 0.72 C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC.[Br-]
MolPort-002-515-137 0.72 COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-526-039 0.72 COC1=C2[C@H](CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-046-596-509 0.72 COC1=C2C(CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-000-725-791 0.72 [OH-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[NH+](C)CCC2=CC2=C1OCO2
MolPort-002-515-696 0.72 COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-520-180 0.72 COC1=C2C(CC(O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
MolPort-000-831-098 0.72 [Br-].COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
MolPort-000-698-309 0.72 [I-].COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-698-521 0.72 [I-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-098 0.71 COC1=C2C(CC(=O)C3=CCC4C5CC[C@H]6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
MCULE-1468712024 0.71 C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H]
MCULE-8407052594 0.71 [C@]12(C)CCC3C(CC[C@@]4([H])CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
MCULE-4071678887 0.71 C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H].[I-]
MCULE-8730131893 0.71 C12=C(CCN(C)C1CC(C)O)C=C1C(OCO1)=C2OC
MolPort-009-758-113 0.71 [I-].COC1=C2C(CC(=O)C3=CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-721-313 0.71 [I-].COC1=C2C(CC(=O)C3=CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CCC6(C)[C@H]5CCC34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-373 0.71 COC1=C2C(CC(C)O)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-217 0.71 COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-516-591 0.71 COC1=C2C(CC(=O)C3=CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-020 0.70 COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-947 0.70 COC1=CC(=CC(OC)=C1OC)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-514-662 0.70 COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-287 0.70 COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-002-513-869 0.70 COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-002-516-922 0.70 COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-170 0.70 COC1=CC=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-000-834-329 0.70 COC1=C2C(CC(O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-289 0.70 COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
MolPort-000-731-251 0.70 [I-].COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-827-286 0.70 [I-].COC1=C(OC)C=C(C=C1)C(O)CC1[NH+](C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-000-743-610 0.70 [I-].COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-009-757-955 0.70 I.COC1=C(OC)C=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-000-729-408 0.70 [I-].COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MCULE-5124333350 0.70 [C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
MCULE-3623977626 0.70 C12=C(CCN(C)C1CC(O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
MCULE-3935956997 0.70 C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
MCULE-5907992453 0.70 C12=C(CCN(C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
MCULE-1872782088 0.70 C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)OC)C=C1C(OCO1)=C2OC
MCULE-5876741895 0.70 [I-].C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
MCULE-3528726804 0.70 C12=C(CC[NH+](C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[Cl-]
MCULE-8781608015 0.70 C12=C(CCN(C)C1CC(O)C1C=CC=CC=1)C=C1C(OCO1)=C2OC
MCULE-6347733673 0.70 C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC
MolPort-000-717-312 0.70 [I-].COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-009-757-991 0.70 Cl.COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
MolPort-000-720-053 0.70 [I-].COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-002-515-483 0.70 COC1=CC=CC(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C1
MolPort-000-745-031 0.70 [Cl-].COC1=CC=C(CC(O)CC2[NH+](C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
MolPort-002-514-854 0.70 COC1=C2C(CC(=O)\C=C(\O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-624 0.70 COC1=C2C(CC(O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-769 0.70 COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-518-995 0.69 COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
MolPort-046-598-105 0.69 COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-244 0.69 COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
MolPort-000-707-236 0.69 [I-].COC1=C2C(CC(=O)\C=C(\O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-720-730 0.69 [I-].COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-838-617 0.69 [Br-].COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-277 0.69 COC1=C2C(CC(O)C(F)(F)F)N(C)CCC2=CC2=C1OCO2
MolPort-009-758-073 0.69 [I-].COC1=C2C(CC(=O)C3CC[C@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
MCULE-1105978207 0.69 C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC.[I-]
MCULE-6277168833 0.69 C12=C(CCN(C)C1CC(O)C(F)(F)F)C=C1C(OCO1)=C2OC
MCULE-2156282825 0.69 C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
MCULE-7547592688 0.69 C12OCOC=1C=C1C3CN(CC1=C2)C1CC(O)C(O)C=C31
MolPort-000-752-271 0.69 [Br-].COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
MolPort-002-514-606 0.69 COC1=CC(OC)=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-514-872 0.69 COC1=C2C(CC(O)C3=CC=C(CC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
MolPort-000-707-970 0.69 [I-].COC1=C2C(CC(O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-019-936-918 0.69 OC1CC2N3CC(C2=CC1O)C1=CC2=C(OCO2)C=C1C3
MolPort-046-153-066 0.68 CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(OCO5)C=C34)[C@H]2C[C@@H]1O
MolPort-000-882-129 0.68 O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
MolPort-030-042-292 0.68 OC1C=C2CCN3CC4=C(C=C5OCOC5=C4)C(C23)C1O
MolPort-002-514-879 0.68 COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-515-733 0.68 COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-311 0.68 COC1=C2C(CC(=O)C=C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-181 0.68 COC1=C2C(CC(=O)C=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MCULE-4471227410 0.68 [C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
MCULE-9316066032 0.68 OC1C(C=C2CCN3CC4=CC5OCOC=5C=C4C1([H])C32[H])O
MCULE-8029878723 0.68 [C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
MCULE-1520472800 0.68 C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC
MCULE-1844335967 0.68 C12=C(CCN(C)C1CC(=O)/C=C(\C)/C)C=C1C(OCO1)=C2OC
MCULE-2144214276 0.68 C12=C(CCN(C)C1CC(O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
MCULE-1426657592 0.68 C12=C(CCN(C)C1CC(=O)C(=C)CC=C(C)CC/C=C(\C)/C)C=C1C(OCO1)=C2OC
MCULE-4900852218 0.68 Cl.[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
MCULE-5300920464 0.68 [C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O.Cl
MCULE-3953892889 0.68 C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC.[I-]
MCULE-5486251596 0.68 C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
MolPort-002-514-529 0.68 COC1=CC(C(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C(OC)C=C1
MolPort-002-513-112 0.68 COC1=C2C(CC(=O)C(\C)=C\C3C(C)=CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-147 0.68 COC1=C2C(CC(=O)C(=C)C\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-000-739-651 0.68 [I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@H]([C@H]13)C1=C(C2)C=C2OCOC2=C1
MolPort-009-653-412 0.68 Cl.O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
MolPort-000-707-381 0.68 [I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)C(C13)C1=C(C2)C=C2OCOC2=C1
MolPort-000-742-857 0.68 [I-].COC1=C2C(CC(=O)C=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-719-611 0.68 [I-].COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-276 0.68 COC1=C2C(CC(=O)\C=C\C(C)(C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-419 0.67 COC1=C2C(CC(O)C3=CC=C(F)C=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-515-048 0.67 COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-172 0.67 COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-336 0.67 COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-338 0.67 COC1=C2C(CC(=O)CC\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-890 0.67 COC1=C2C(CC(OC(C)=O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
MolPort-000-824-435 0.67 Cl.COC1=C2C(CC(=O)\C=C\C(C)(C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-039-338-276 0.67 COC1=CC[C@]23CCN(C)[C@]2(C[C@H](O)C2=C3C=C3OCOC3=C2)C1=O
MolPort-000-797-380 0.67 COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(CC[C@]6(C)C5CC[C@]34C)OC(C)=O)N(C)CCC2=CC2=C1OCO2
MolPort-000-699-726 0.67 [I-].COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-270 0.67 COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-009-758-012 0.67 Cl.COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-000-736-462 0.67 [I-].COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-949 0.67 COC1=C2C(CC(O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-326 0.67 COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-000-734-784 0.67 [Cl-].COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[NH+](C)CCC2=CC2=C1OCO2
MCULE-1372189946 0.67 C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
MCULE-7677232966 0.67 Cl.C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
MCULE-4012425697 0.67 C12=C(CCN(C)C1CC(C1=CC=CC=C1)OC(C)=O)C=C1C(OCO1)=C2OC
MCULE-2674783794 0.67 C12=C(CCN(C)C1CC(=O)C1CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(CC1=CC4)OC(C)=O)C=C1C(OCO1)=C2OC
MCULE-5077697316 0.67 C12OCOC1=CC1[C@@H](O)C[C@]34N(C)CC[C@]3(CC=C(OC)C4=O)C=1C=2
MCULE-4508435763 0.67 C12=C(CCN(C)C1CC(O)C1C=CC(=CC=1)Br)C=C1C(OCO1)=C2OC
MCULE-6248551129 0.67 C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC.[Br-]
MCULE-5574529686 0.67 C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC
MCULE-1070712624 0.67 C12=C(CCN(C)C1CC(CC/C=C(\C)/C)=O)C=C1C(OCO1)=C2OC
MCULE-1210210850 0.67 C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
MolPort-000-747-700 0.67 [Br-].COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-518-092 0.67 COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-246 0.67 COC1=C2C(CC(=O)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
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