General Information of the Compound
| Compound ID |
CP0444629
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| Compound Name |
2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone
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| Structure |
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| Formula |
C15H8F4N2O
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| Molecular Weight |
308.234
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| Canonical SMILES |
Fc1ccc2c(n[nH]c2c1)-c1ccc(cc1)C(=O)C(F)(F)F
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| InChI |
InChI=1S/C15H8F4N2O/c16-10-5-6-11-12(7-10)20-21-13(11)8-1-3-9(4-2-8)14(22)15(17,18)19/h1-7H,(H,20,21)
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| InChIKey |
NMZLZECAAYUSPH-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