General Information of the Compound
| Compound ID |
CP0427695
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| Compound Name |
4-(4-benzylpiperazin-1-yl)-N-(2,4-dichlorophenyl)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(Cc3ccccc3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C21H25Cl2N3O/c22-18-8-9-20(19(23)15-18)24-21(27)7-4-10-25-11-13-26(14-12-25)16-17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14,16H2,(H,24,27)
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| InChIKey |
SPKBJLIQPBEEMR-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