General Information of the Compound
| Compound ID |
CP0464415
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| Compound Name |
4-(4-(4-chlorobenzyl)piperazin-1-yl)-N-(4-chlorophenyl)butanamide
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| Structure |
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| Formula |
C21H25Cl2N3O
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| Molecular Weight |
406.357
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| Canonical SMILES |
Clc1ccc(CN2CCN(CCCC(=O)Nc3ccc(Cl)cc3)CC2)cc1
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| InChI |
InChI=1S/C21H25Cl2N3O/c22-18-5-3-17(4-6-18)16-26-14-12-25(13-15-26)11-1-2-21(27)24-20-9-7-19(23)8-10-20/h3-10H,1-2,11-16H2,(H,24,27)
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| InChIKey |
AXRUGMOQNUJNCR-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