General Information of the Compound
| Compound ID |
CP0456373
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| Compound Name |
(2S)-1,1,1-trifluoro-2-[5-[1-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl]pyridin-3-yl]propan-2-ol
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| Structure |
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| Formula |
C19H14F6N4O
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| Molecular Weight |
428.336
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| Canonical SMILES |
C[C@](O)(c1cncc(c1)-c1ccc-2c(CCc3nnc(n-23)C(F)(F)F)c1)C(F)(F)F
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| InChI |
InChI=1S/C19H14F6N4O/c1-17(30,19(23,24)25)13-7-12(8-26-9-13)10-2-4-14-11(6-10)3-5-15-27-28-16(29(14)15)18(20,21)22/h2,4,6-9,30H,3,5H2,1H3/t17-/m0/s1
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| InChIKey |
YAMPGCMQDDRWQX-KRWDZBQOSA-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