General Information of the Compound
| Compound ID |
CP0110901
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| Compound Name |
N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
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| Structure |
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| Formula |
C23H22F3N3O
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| Molecular Weight |
413.443
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| Canonical SMILES |
FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CCCC2)cc1
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| InChI |
InChI=1S/C23H22F3N3O/c24-23(25,26)18-7-3-16(4-8-18)5-12-22(30)27-19-9-10-20-17(15-19)6-11-21(28-20)29-13-1-2-14-29/h3-4,6-11,15H,1-2,5,12-14H2,(H,27,30)
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| InChIKey |
MVQARQYRYGFFIV-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