General Information of the Compound
| Compound ID |
CP0917284
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| Compound Name |
N-[3-Dimethylamino-1-(2-naphthyl)propyl]-3-(4-methoxyphenyl)benzamide HCl
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| Structure |
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| Formula |
C29H31ClN2O2
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| Molecular Weight |
475.032
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| Canonical SMILES |
COc1ccc(-c2cccc(C(=O)NC(CCN(C)C)c3ccc4ccccc4c3)c2)cc1.Cl
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| InChI |
InChI=1S/C29H30N2O2.ClH/c1-31(2)18-17-28(25-12-11-21-7-4-5-8-23(21)19-25)30-29(32)26-10-6-9-24(20-26)22-13-15-27(33-3)16-14-22;/h4-16,19-20,28H,17-18H2,1-3H3,(H,30,32);1H
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| InChIKey |
KJHLRTZAKQNHCN-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