General Information of the Compound
| Compound ID |
CP0405418
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| Compound Name |
4-(4-(3-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(NC(=O)CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1
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| InChI |
InChI=1S/C21H25Cl2N3O/c22-18-6-8-20(9-7-18)24-21(27)5-2-10-25-11-13-26(14-12-25)16-17-3-1-4-19(23)15-17/h1,3-4,6-9,15H,2,5,10-14,16H2,(H,24,27)
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| InChIKey |
MTHBTFJQVOZKMT-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