General Information of the Compound
| Compound ID |
CP0417971
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| Compound Name |
N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide
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| Structure |
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| Formula |
C21H23ClN2O
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| Molecular Weight |
354.881
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| Canonical SMILES |
Clc1cccc(c1)-c1ccccc1C(=O)NCC12CCN(CC1)CC2
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| InChI |
InChI=1S/C21H23ClN2O/c22-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(25)23-15-21-8-11-24(12-9-21)13-10-21/h1-7,14H,8-13,15H2,(H,23,25)
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| InChIKey |
ISZWLCMWQJOEFG-UHFFFAOYSA-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