General Information of the Compound
| Compound ID |
CP0244010
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| Compound Name |
(2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)pyridin-3-yl]propan-2-ol
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| Structure |
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| Formula |
C16H14F3N3O
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| Molecular Weight |
321.302
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| Canonical SMILES |
Cc1nn(-c2cncc(c2)[C@](C)(O)C(F)(F)F)c2ccccc12
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| InChI |
InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m0/s1
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| InChIKey |
QZDITHIIKPAORB-HNNXBMFYSA-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: PT04507, Cytochrome P450 11B2, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Protein ID: PT01584, Steroid 17-alpha-hydroxylase/17,20 lyase
Protein ID: PT05184, Steroid 21-hydroxylase