General Information of the Compound
| Compound ID |
CP0189599
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| Compound Name |
6-(3,5-Bis-trifluoromethyl-phenyl)-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
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| Structure |
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| Formula |
C21H13F9N2O
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| Molecular Weight |
480.33
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
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| InChI |
InChI=1S/C21H13F9N2O/c22-19(23,24)10-3-9(4-11(5-10)20(25,26)27)12-1-2-31-16-8-17-14(6-13(12)16)15(21(28,29)30)7-18(33)32-17/h3-8,12,31H,1-2H2,(H,32,33)
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| InChIKey |
ZTMLPPUXYPZSFW-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