General Information of the Compound
| Compound ID |
CP0507037
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| Compound Name |
2-[5-[6-(trifluoromethyl)indazol-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 |
CC(C)(O)c1cncc(c1)-n1ncc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C16H14F3N3O/c1-15(2,23)12-5-13(9-20-8-12)22-14-6-11(16(17,18)19)4-3-10(14)7-21-22/h3-9,23H,1-2H3
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| InChIKey |
CKKRFLLAKZDTGH-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