General Information of the Compound
| Compound ID |
CP0902437
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| Compound Name |
N-[1-(4-Chlorophenyl)-3-dimethylaminopropyl]-4-(4-methoxyphenyl)benzamide HCl
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| Structure |
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| Formula |
C25H28Cl2N2O2
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| Molecular Weight |
459.417
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| Canonical SMILES |
COc1ccc(-c2ccc(C(=O)NC(CCN(C)C)c3ccc(Cl)cc3)cc2)cc1.Cl
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| InChI |
InChI=1S/C25H27ClN2O2.ClH/c1-28(2)17-16-24(20-8-12-22(26)13-9-20)27-25(29)21-6-4-18(5-7-21)19-10-14-23(30-3)15-11-19;/h4-15,24H,16-17H2,1-3H3,(H,27,29);1H
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| InChIKey |
WGFRJYGJQWKCAA-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