General Information of the Compound
| Compound ID |
CP0010517
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| Compound Name |
2,4-dichloro-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
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| Structure |
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| Formula |
C20H21Cl2N3O
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| Molecular Weight |
390.314
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| Canonical SMILES |
Clc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)c(Cl)c1
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| InChI |
InChI=1S/C20H21Cl2N3O/c21-15-3-4-16(17(22)11-15)20(26)24-19-14-5-8-25(9-6-14)18(19)10-13-2-1-7-23-12-13/h1-4,7,11-12,14,18-19H,5-6,8-10H2,(H,24,26)/t18-,19+/m0/s1
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| InChIKey |
BAFBQYNOMPRHPB-RBUKOAKNSA-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
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7