General Information of the Compound
| Compound ID |
CP0214521
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| Compound Name |
6-Isobutyl-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 |
C17H19F3N2O
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| Molecular Weight |
324.346
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| Canonical SMILES |
CC(C)CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
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| InChI |
InChI=1S/C17H19F3N2O/c1-9(2)5-10-3-4-21-14-8-15-12(6-11(10)14)13(17(18,19)20)7-16(23)22-15/h6-10,21H,3-5H2,1-2H3,(H,22,23)
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| InChIKey |
VKTKNQNJFOZBEQ-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