General Information of the Compound
| Compound ID |
CP0917285
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| Compound Name |
N-[3-Dimethylamino-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)benzamide HCl
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| Structure |
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| Formula |
C26H31ClN2O2
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| Molecular Weight |
438.999
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| Canonical SMILES |
COc1ccc(-c2cccc(C(=O)NC(CCN(C)C)c3ccc(C)cc3)c2)cc1.Cl
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| InChI |
InChI=1S/C26H30N2O2.ClH/c1-19-8-10-21(11-9-19)25(16-17-28(2)3)27-26(29)23-7-5-6-22(18-23)20-12-14-24(30-4)15-13-20;/h5-15,18,25H,16-17H2,1-4H3,(H,27,29);1H
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| InChIKey |
MCZWBFLLEZTKDD-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