General Information of the Compound
| Compound ID |
CP0424260
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| Compound Name |
3-(4-benzylpiperazin-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C24H31ClN4O
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| Molecular Weight |
426.992
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CC1)C(=O)CCN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C24H31ClN4O/c25-22-6-8-23(9-7-22)28-16-18-29(19-17-28)24(30)10-11-26-12-14-27(15-13-26)20-21-4-2-1-3-5-21/h1-9H,10-20H2
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| InChIKey |
KDOSXLXAQVBMKD-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