General Information of the Compound
| Compound ID |
CP0161881
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| Compound Name |
N-[2-(azetidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
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| Structure |
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| Formula |
C22H20F3N3O
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| Molecular Weight |
399.416
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| Canonical SMILES |
FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CCC2)cc1
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| InChI |
InChI=1S/C22H20F3N3O/c23-22(24,25)17-6-2-15(3-7-17)4-11-21(29)26-18-8-9-19-16(14-18)5-10-20(27-19)28-12-1-13-28/h2-3,5-10,14H,1,4,11-13H2,(H,26,29)
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| InChIKey |
KENHPAGHHILAQR-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