General Information of the Compound
| Compound ID |
CP0132422
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| Compound Name |
N-(4-amino-2-propylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
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| Structure |
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| Formula |
C22H22F3N3O
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| Molecular Weight |
401.432
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| Canonical SMILES |
CCCc1cc(N)c2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C22H22F3N3O/c1-2-3-16-13-19(26)18-12-17(9-10-20(18)27-16)28-21(29)11-6-14-4-7-15(8-5-14)22(23,24)25/h4-5,7-10,12-13H,2-3,6,11H2,1H3,(H2,26,27)(H,28,29)
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| InChIKey |
FCCWHXNZERKPRB-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