General Information of the Compound
| Compound ID |
CP0459994
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| Compound Name |
9-chloro-1-methyl-7-[4-(trifluoromethyl)pyridin-3-yl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C17H12ClF3N4
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| Molecular Weight |
364.758
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| Canonical SMILES |
Cc1nnc2CCc3cc(cc(Cl)c3-n12)-c1cnccc1C(F)(F)F
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| InChI |
InChI=1S/C17H12ClF3N4/c1-9-23-24-15-3-2-10-6-11(7-14(18)16(10)25(9)15)12-8-22-5-4-13(12)17(19,20)21/h4-8H,2-3H2,1H3
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| InChIKey |
WFTJPVNBEIWXTI-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial