General Information of the Compound
| Compound ID |
CP0475958
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| Compound Name |
1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)pyridin-3-yl]propan-2-ol
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| Structure |
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| Formula |
C15H11F4N3O
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| Molecular Weight |
325.265
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| Canonical SMILES |
CC(O)(c1cncc(c1)-n1ncc2cc(F)ccc12)C(F)(F)F
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| InChI |
InChI=1S/C15H11F4N3O/c1-14(23,15(17,18)19)10-5-12(8-20-7-10)22-13-3-2-11(16)4-9(13)6-21-22/h2-8,23H,1H3
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| InChIKey |
AFXQEVIJSSUTLL-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