General Information of the Compound
| Compound ID |
CP0455900
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| Compound Name |
3-methyl-6-[5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-yl]-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C15H11F3N2O3
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| Molecular Weight |
324.258
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| Canonical SMILES |
Cn1c2ccc(cc2oc1=O)-c1cncc(c1)C(O)C(F)(F)F
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| InChI |
InChI=1S/C15H11F3N2O3/c1-20-11-3-2-8(5-12(11)23-14(20)22)9-4-10(7-19-6-9)13(21)15(16,17)18/h2-7,13,21H,1H3
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| InChIKey |
GQVSMEMOQJCMIH-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