General Information of the Compound
| Compound ID |
CP0378679
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| Compound Name |
1-acetyl-N-[3-(4-benzyl-2-methylpiperazin-1-yl)propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C30H41ClN4O2
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| Molecular Weight |
525.137
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| Canonical SMILES |
CC1CN(Cc2ccccc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C30H41ClN4O2/c1-23-10-11-28(20-29(23)31)35(30(37)27-12-16-34(17-13-27)25(3)36)15-7-14-33-19-18-32(21-24(33)2)22-26-8-5-4-6-9-26/h4-6,8-11,20,24,27H,7,12-19,21-22H2,1-3H3
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| InChIKey |
GMHKDASFRJNUHU-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