General Information of the Compound
| Compound ID |
CP0394201
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| Compound Name |
4-[cyclohexyl(propyl)amino]-N-quinolin-3-ylbenzamide
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| Structure |
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| Formula |
C25H29N3O
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| Molecular Weight |
387.527
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| Canonical SMILES |
CCCN(C1CCCCC1)c1ccc(cc1)C(=O)Nc1cnc2ccccc2c1
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| InChI |
InChI=1S/C25H29N3O/c1-2-16-28(22-9-4-3-5-10-22)23-14-12-19(13-15-23)25(29)27-21-17-20-8-6-7-11-24(20)26-18-21/h6-8,11-15,17-18,22H,2-5,9-10,16H2,1H3,(H,27,29)
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| InChIKey |
YDHPKUQSJIPVSU-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