General Information of the Compound
| Compound ID |
CP0457038
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| Compound Name |
1-(4-Acetyl-4-phenyl-piperidin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
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| Structure |
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| Formula |
C31H30Cl2N2O2
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| Molecular Weight |
533.499
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| Canonical SMILES |
CC(=O)C1(CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(C)c2ccc(Cl)cc12)c1ccccc1
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| InChI |
InChI=1S/C31H30Cl2N2O2/c1-21(36)31(23-6-4-3-5-7-23)16-18-35(19-17-31)29(37)15-13-26-27-20-25(33)12-14-28(27)34(2)30(26)22-8-10-24(32)11-9-22/h3-12,14,20H,13,15-19H2,1-2H3
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| InChIKey |
ZAYFPTBDAVMYMR-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