General Information of the Compound
| Compound ID |
CP0510796
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| Compound Name |
4-[methyl(octyl)amino]-N-quinolin-3-ylbenzamide
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| Synonyms |
4-(methyl(octyl)amino)-N-(quinolin-3-yl)benzamide
CHEMBL259017
SCHEMBL846048
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| Structure |
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| Formula |
C25H31N3O
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| Molecular Weight |
389.543
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| Canonical SMILES |
CCCCCCCCN(C)c1ccc(cc1)C(=O)Nc1cnc2ccccc2c1
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| InChI |
InChI=1S/C25H31N3O/c1-3-4-5-6-7-10-17-28(2)23-15-13-20(14-16-23)25(29)27-22-18-21-11-8-9-12-24(21)26-19-22/h8-9,11-16,18-19H,3-7,10,17H2,1-2H3,(H,27,29)
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| InChIKey |
YWPSOIQULJMWIC-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
Clinical Information about the Compound