General Information of the Compound
| Compound ID |
CP0428669
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| Compound Name |
7-(benzylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
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| Structure |
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| Formula |
C17H13F3N2O
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| Molecular Weight |
318.298
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| Canonical SMILES |
FC(F)(F)c1cc(=O)[nH]c2cc(NCc3ccccc3)ccc12
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| InChI |
InChI=1S/C17H13F3N2O/c18-17(19,20)14-9-16(23)22-15-8-12(6-7-13(14)15)21-10-11-4-2-1-3-5-11/h1-9,21H,10H2,(H,22,23)
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| InChIKey |
APNBSJGIIWSWOI-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