General Information of the Compound
| Compound ID |
CP0917288
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| Compound Name |
N-[1-(4-Chlorophenyl)-3-dimethylaminopropyl]-3-(2-naphthyl)benzamide HCl
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| Structure |
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| Formula |
C28H28Cl2N2O
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| Molecular Weight |
479.451
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| Canonical SMILES |
CN(C)CCC(NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1.Cl
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| InChI |
InChI=1S/C28H27ClN2O.ClH/c1-31(2)17-16-27(21-12-14-26(29)15-13-21)30-28(32)25-9-5-8-23(19-25)24-11-10-20-6-3-4-7-22(20)18-24;/h3-15,18-19,27H,16-17H2,1-2H3,(H,30,32);1H
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| InChIKey |
IISMSXIRFVDUKW-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