General Information of the Compound
| Compound ID |
CP0374064
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-2-(Methylsulfonyl)-N-[4-(propan-2-yloxy)phenyl]-2-azabicyclo[2.2.2]octane-6-carboxamide
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| Structure |
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| Formula |
C18H26N2O4S
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| Molecular Weight |
366.483
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| Canonical SMILES |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(C3)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C18H26N2O4S/c1-12(2)24-15-7-5-14(6-8-15)19-18(21)16-10-13-4-9-17(16)20(11-13)25(3,22)23/h5-8,12-13,16-17H,4,9-11H2,1-3H3,(H,19,21)/t13-,16+,17-/m0/s1
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| InChIKey |
FBNJVRUAGAYJEU-XKQJLSEDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound