General Information of the Compound
| Compound ID |
CP0065022
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| Compound Name |
(2S)-1,1,1-trifluoro-2-[5-(1-methyl-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 |
C19H17F3N4O
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| Molecular Weight |
374.366
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| Canonical SMILES |
Cc1nnc2CCc3cc(ccc3-n12)-c1cncc(c1)[C@](C)(O)C(F)(F)F
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| InChI |
InChI=1S/C19H17F3N4O/c1-11-24-25-17-6-4-13-7-12(3-5-16(13)26(11)17)14-8-15(10-23-9-14)18(2,27)19(20,21)22/h3,5,7-10,27H,4,6H2,1-2H3/t18-/m0/s1
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| InChIKey |
YTLROJLEAFXNIK-SFHVURJKSA-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
Protein ID: PT01584, Steroid 17-alpha-hydroxylase/17,20 lyase