General Information of the Compound
| Compound ID |
CP0240397
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| Compound Name |
(2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]pyridin-3-yl]propan-2-ol
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| Structure |
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| Formula |
C16H11F6N3O
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| Molecular Weight |
375.272
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| Canonical SMILES |
C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1
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| InChIKey |
JARSMHCNHDDFGP-AWEZNQCLSA-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