SANC00988 Atropine




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-044-726-717 1 COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23
MolPort-044-726-717 1 COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23
MCULE-4086432588 1 O=C([C@@H](C1C=CC=CC=1)CO)O[C@H]1C[C@@H]2N(C)[C@@H](CC2)C1
MCULE-6115002034 1 O(C([C@@H](C1C=CC=CC=1)CO)=O)[C@H]1C[C@@H]2CC[C@H](C1)N2C
MCULE-5049980463 1 O(C([C@@H](CO)C1=CC=CC=C1)=O)[C@H]1C[C@@H]2CC[C@H](C1)N2C
MCULE-1764209130 1 N1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@]([H])(CO)C1=CC=CC=C1)C2
MCULE-7662254879 1 [N+]1(C)(C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2
MCULE-9094179165 1 N1(C)C2CCC1CC(C2)OC(=O)C(CO)C1=CC=CC=C1
MCULE-9149653773 1 [N+]1(C)(C(C)C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2
MCULE-5177393878 1 O(C([C@H](C1=CC=CC=C1)CO)=O)[C@H]1C[C@H]2CC[C@@H](C1)[N@+]2(C)C(C)C
MolPort-046-158-431 0.99 COc1c(O)cc2CCN(C)[C@@H]3Cc4ccccc4-c1c23
MolPort-046-158-431 0.99 COc1c(O)cc2CCN(C)[C@@H]3Cc4ccccc4-c1c23
MCULE-7044673430 0.99 [Cl-].[N+]1(C)(C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2
MCULE-2808921144 0.99 O(C([C@H](C1=CC=CC=C1)CO)=O)[C@H]1C[C@H]2CC[C@@H](C1)[N@+]2(C)C(C)C.[Br-]
MCULE-9236781222 0.99 [I-].[N+]1(C)(C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2
MCULE-3274523980 0.99 O=C(C(C1C=CC=CC=1)CO)O[C@H]1C[C@@H]2N[C@@H](CC2)C1
MCULE-1442325143 0.99 [N+]1(C)(C(C)C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2.[Br-]
MolPort-044-723-196 0.98 COc1cc2CCN[C@@H]3Cc4ccccc4-c(c1OC)c23
MolPort-039-338-413 0.98 COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccccc4-c(c1OC)c23
MolPort-000-160-612 0.98 COc1cc2CCNC3Cc4ccc(O)cc4-c(c1OC)c23
MolPort-001-728-186 0.98 COc1cc2CCN(C)C3Cc4ccccc4-c(c1OC)c23
MolPort-003-811-346 0.98 COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1OC)c23
MolPort-039-338-413 0.98 COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccccc4-c(c1OC)c23
MolPort-016-638-487 0.98 COc1cc-2c(C[C@@H]3NCCc4cc(O)c(OC)c-2c34)cc1O
MolPort-044-723-196 0.98 COc1cc2CCN[C@@H]3Cc4ccccc4-c(c1OC)c23
MolPort-046-417-459 0.97 Cl.COc1cc-2c(C[C@@H]3NCCc4cc(O)c(OC)c-2c34)cc1O
MolPort-021-804-776 0.97 COc1cc-2c(CC3NCCc4cc(OC)c(OC)c-2c34)cc1O
MolPort-001-728-137 0.97 COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O
MolPort-001-728-107 0.97 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c-2c34)cc1O
MolPort-046-417-459 0.97 Cl.COc1cc-2c(C[C@@H]3NCCc4cc(O)c(OC)c-2c34)cc1O
MolPort-021-804-776 0.97 COc1cc-2c(CC3NCCc4cc(OC)c(OC)c-2c34)cc1O
MolPort-001-728-207 0.96 COc1cc2CC3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC
MolPort-000-726-839 0.96 [Cl-].COc1cc-2c(CC3[NH+](C)CCc4cc(O)c(OC)c-2c34)cc1O
MolPort-021-804-578 0.96 COc1cc-2c(CC3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O
MolPort-035-705-709 0.96 COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O
MolPort-035-705-709 0.96 COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O
MolPort-003-894-407 0.96 Cl.COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O
MolPort-021-804-578 0.96 COc1cc-2c(CC3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O
MolPort-003-804-060 0.96 COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O
MolPort-001-728-091 0.96 COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
MolPort-000-880-959 0.96 COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
MCULE-8404575155 0.96 N1(C)C2CCC1CC(OC(=O)CC1C=CC=CC=1)C2
MCULE-4907571371 0.96 C(C1C=CC=CC=1)(C(=O)OCC)C(=O)O[C@@H]1C[C@@H]2CC[C@@H]([N+]2(C)C)C1
MolPort-016-638-405 0.95 Cl.COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
MolPort-000-712-291 0.95 [Cl-].COc1cc2CC3[NH+](C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
MolPort-002-325-560 0.95 Cl.COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
MolPort-046-509-032 0.95 COc1cc2CCN(C)[C@H]3Cc4ccccc4-c(c1O)c23
MolPort-046-509-032 0.95 COc1cc2CCN(C)[C@H]3Cc4ccccc4-c(c1O)c23
MCULE-4352645763 0.95 [N+]1(C)(C)C2CCC1CC(OC(=O)C(CC)(CO)C1=CC=CC=C1)C2
MCULE-1521238572 0.95 [O-]N(=O)=O.C12CCC(CC(OC(=O)C(CO)C3C=CC=CC=3)C1)[N+]2(C)C
MCULE-3956868404 0.95 C(CC)(CO)(C1C=CC=CC=1)C(=O)OC1CC2CCC(N2C)C1
MolPort-035-705-707 0.94 COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1OC
MolPort-001-728-159 0.94 COc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O
MolPort-001-728-104 0.94 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O
MolPort-005-944-804 0.94 COc1cc2CCN(C)[C@H]3Cc4ccc(O)c(OC)c4-c(c1OC)c23
MolPort-001-728-113 0.94 COc1cc2CC[N+](C)(C)C3Cc4cccc(OC)c4-c(c1O)c23
MolPort-004-955-365 0.94 COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(O)c-2c34)cc1O
MolPort-039-052-582 0.94 COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c-24)cc1O
MolPort-019-879-464 0.94 COc1cc-2c(C[C@@H]3NCCc4cc(OC)c(O)c-2c34)cc1O
MolPort-005-944-803 0.94 COc1cc2CCN[C@H]3Cc4ccc(O)c(OC)c4-c(c1OC)c23
MolPort-035-705-708 0.94 COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1O
MolPort-035-705-708 0.94 COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1O
MolPort-039-052-582 0.94 COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c-24)cc1O
MolPort-035-705-707 0.94 COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1OC
MCULE-5598343768 0.94 [I-].[N+]1(C)(C)C2CCC1CC(OC(=O)C(CC)(CO)C1=CC=CC=C1)C2
MCULE-2314130470 0.94 Cl.C(CC)(CO)(C1C=CC=CC=1)C(=O)OC1CC2CCC(N2C)C1
MCULE-6861535689 0.94 C(CO)(CC)(C1C=CC=CC=1)C(=O)OC1CC2N(C)C(CC2)C1.Br
MolPort-009-758-341 0.93 [I-].COc1cc2CC[N+](C)(C)[C@H]3Cc4cccc(OC)c4-c(c1O)c23
MolPort-001-742-663 0.93 COc1ccc2CC3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC
MolPort-000-745-331 0.93 [I-].COc1cc2CC[N+](C)(C)C3Cc4cccc(OC)c4-c(c1O)c23
MolPort-000-831-954 0.93 Cl.COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O
MolPort-000-881-669 0.93 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC
MCULE-2140948986 0.93 [N+]1([H])(C)C2([H])CCC1([H])CC(OC(=O)C(CO)C1=CC=CC=C1)C2.[N+]1([H])(C)C2([H])CCC1([H])CC(OC(=O)C(CO)C1=CC=CC=C1)C2.S(=O)(=O)([O-])[O-]
MCULE-1069736810 0.93 [N+]1(C)(CC#C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2
MCULE-5981343996 0.93 [NH+]1(C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2.S(O)(=O)(=O)[O-]
MolPort-009-758-319 0.92 Cl.COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC
MolPort-001-728-108 0.92 COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-001-728-145 0.92 COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-000-880-958 0.92 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1O
MCULE-9583426095 0.92 C1=CC=C(C=C1)CC(=O)OCC1CCCN2CCCCC21
MCULE-1522379809 0.92 C(=O)(OC1CCC2N(C)C(CC2)C1)C(CO)C1C=CC=CC=1
MCULE-8910527018 0.92 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CC1C=CC=CC=1)=O
MCULE-6806105930 0.92 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CC1=CC=CC=C1)=O)C
MolPort-046-594-322 0.91 [Cl-].COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-046-594-322 0.91 [Cl-].COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-039-338-202 0.91 [Cl-].COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-000-741-480 0.91 [I-].COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-006-069-296 0.91 [I-].COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-039-338-202 0.91 [Cl-].COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MCULE-6111826573 0.91 [C@@H]1(O)C[C@@H]2N(C)[C@H]1C[C@@H](C2)OC(=O)[C@@H](CO)C1C=CC=CC=1
MCULE-8578717152 0.91 C(=O)(C(C1C=CC=CC=1)C1=CC=CC=C1)OC1CC2CCC(N2C)C1
MCULE-8879043093 0.91 [N+]1(C)(C)C2CCC1CC(C2)OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
MCULE-1020725763 0.91 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CC1=CC=CC=C1)=O)C
MCULE-2900384139 0.91 CN1[C@@]2(C[C@@H](C[C@]1([C@@H](C2)O)[H])OC(=O)[C@@H](C1C=CC=CC=1)CO)[H]
MCULE-9570543712 0.91 C(=O)(C(C1C=CC=CC=1)C1C=CC=CC=1)O[C@H]1C[C@H]2CC[C@@H](C1)N2C
MCULE-3459933530 0.91 N1(C)[C@@H]2C[C@H](C[C@H]1C[C@@H]2O)OC(=O)[C@]([H])(CO)C1=CC=CC=C1
MCULE-4619581784 0.91 N12CCCC[C@@]1([H])[C@H](CCC2)COC(=O)CC1C=CC=C2C=CC=CC=12
MCULE-9502913097 0.91 N1(C)C2CCC1CC(OC(=O)C(CC)C1=CC=CC=C1)C2
MCULE-7361462883 0.91 [N+]12(CCCC[C@@]1([H])[C@H](CCC2)COC(=O)CC1C=CC=C2C=CC=CC=12)C
MCULE-3922871276 0.91 [N+]1(C)(CC#C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2.[Br-]
MCULE-9631538545 0.91 CN1[C@H]2C[C@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@@H]1[C@@H](O)C2
MCULE-5255660147 0.91 CN1C2CC(OC(C(C3C=CC=CC=3)CO)=O)CC1CC2O
MCULE-2778105839 0.91 N1(C)[C@H]2C[C@@H](C[C@@H]1C[C@H]2O)OC(=O)[C@]([H])(CO)C1C=CC=CC=1
MCULE-6393543163 0.90 [I-].[N+]1(C)(C)C2CCC1CC(C2)OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
MCULE-3161322920 0.90 Br.N1(C)[C@H]2C[C@@H](C[C@@H]1C[C@H]2O)OC(=O)[C@]([H])(CO)C1C=CC=CC=1
MolPort-039-141-795 0.90 CN1CCc2cc3OCOc3c3-c4ccccc4C[C@H]1c23
MolPort-046-158-528 0.90 COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
MolPort-001-728-098 0.90 CN1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23
MolPort-039-141-795 0.90 CN1CCc2cc3OCOc3c3-c4ccccc4C[C@H]1c23
MolPort-001-728-191 0.90 C[N+]1(C)CCc2cc3OCOc3c3-c4ccccc4CC1c23
MolPort-046-158-528 0.90 COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
MCULE-9209059664 0.90 Cl.C(=O)(C(C1C=CC=CC=1)C1=CC=CC=C1)OC1CC2CCC(N2C)C1
MCULE-5782685780 0.90 N1(C)C2CCC1CC(OC(=O)C(CC)C1=CC=CC=C1)C2.Cl
MCULE-6424991311 0.90 [N+]12(CCCC[C@@]1([H])[C@H](CCC2)COC(=O)CC1C=CC=C2C=CC=CC=12)C.[I-]
MCULE-9752618201 0.90 Cl.N1(C)[C@@H]2C[C@H](C[C@H]1C[C@@H]2O)OC(=O)[C@]([H])(CO)C1=CC=CC=C1
MolPort-009-758-260 0.89 [I-].C[N+]1(C)CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23
MolPort-000-716-723 0.89 [Cl-].C[NH+]1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23
MolPort-009-757-632 0.89 Cl.CN1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23
MolPort-000-716-197 0.89 [I-].C[N+]1(C)CCc2cc3OCOc3c3-c4ccccc4CC1c23
MCULE-4069736232 0.88 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(CC)C1=CC=CC=C1
MCULE-2698601005 0.88 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1)C
MCULE-1432508651 0.88 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C1C=CC=CC=1)C1=CC=CC=C1
MolPort-044-723-349 0.88 CN1CCc2cc3OCOc3c3-c4cc5OCOc5cc4C[C@H]1c23
MolPort-000-744-826 0.88 [I-].C[N+]1(C)CCc2cc3OCOc3c3-c4cc(O)ccc4CC1c23
MolPort-044-723-349 0.88 CN1CCc2cc3OCOc3c3-c4cc5OCOc5cc4C[C@H]1c23
MolPort-006-069-104 0.88 COc1cc2C[C@@H]3N(C)CCc4cc5OCOc5c(-c2cc1OC)c34
MolPort-009-758-085 0.88 [I-].C[N+]1(C)CCc2cc3OCOc3c3-c4cc(O)ccc4C[C@@H]1c23
MCULE-4782455287 0.87 S([O-])(=O)(=O)OC.C(C1C=CC=CC=1)(C(=O)OCC)C(=O)O[C@@H]1C[C@@H]2CC[C@@H]([N+]2(C)C)C1
MCULE-3357701074 0.86 O(C([C@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@H]2CC[C@@H](C1)N2C
MCULE-4009850984 0.86 O(C([C@@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C
MCULE-1554479850 0.86 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1)C.[I-]
MCULE-7109134658 0.86 N1(C)C2CCC1CC(OC(=O)C(O)C1C=CC=CC=1)C2
MCULE-1966757857 0.86 [N+]1(C)(C)C2CCC1CC(OC(=O)C(O)C1=CC=CC=C1)C2
MolPort-005-944-802 0.86 COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)[O-])cc(OC)c(OC)c-24)cc1O
MCULE-9493769202 0.85 Br.O(C([C@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@H]2CC[C@@H](C1)N2C
MCULE-4330080118 0.85 [N+]1(C)(C)C2CCC1CC(OC(=O)C(O)C1=CC=CC=C1)C2.[Br-]
MCULE-8936787872 0.85 [N+]1(C)(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(CCCC1)C1C=CC=CC=1)C2
MCULE-7885256638 0.85 N1(C)C2CCC1CC(OC(=O)C1(CCCC1)C1C=CC=CC=1)C2
MCULE-9922406047 0.85 Cl.OC(C(OC1CC2CCC(N2C)C1)=O)C1=CC=CC=C1
MCULE-7216612890 0.85 [N+]1(C)(C)C2CCC1CC(OC(=O)C1(CCCC1)C1=CC=CC=C1)C2
MCULE-8960409513 0.85 Br.N1(C)C2CCC1CC(OC(=O)C(O)C1C=CC=CC=1)C2
MCULE-7840666108 0.85 N1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(CCCC1)C1=CC=CC=C1)C2
MCULE-4243504160 0.85 O(C([C@@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-]
MolPort-042-665-655 0.85 Br.Oc1ccc2C[C@H]3NCCc4cccc(c34)-c2c1O
MolPort-000-730-654 0.85 O.[Cl-].C[NH+]1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
MolPort-042-665-656 0.85 Br.CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
MolPort-039-098-334 0.85 Cl.CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
MolPort-046-688-634 0.85 Cl.[2H]c1c([2H])c2CCN(C)[C@@H]3Cc4c([2H])c([2H])c(O)c(O)c4-c(c1[2H])c23
MolPort-044-181-450 0.85 Cl.CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2OCOc2c-31
MolPort-035-705-704 0.85 COc1cccc-2c1C[C@H]1N(C)CCc3cc4OCOc4c-2c13
MolPort-035-705-704 0.85 COc1cccc-2c1C[C@H]1N(C)CCc3cc4OCOc4c-2c13
MolPort-044-181-450 0.85 Cl.CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2OCOc2c-31
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MCULE-8947084254 0.60 O=C(C1(C2=CC=CC=C2)CC1)NCC1COCCC1
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