General Information of the Compound
| Compound ID |
CP0523088
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| Compound Name |
[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]-[7-(trifluoromethyl)-2,4-dihydro-3,1-benzoxazin-1-yl]methanone
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| Structure |
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| Formula |
C15H8ClF6N3O2
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| Molecular Weight |
411.689
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| Canonical SMILES |
FC(F)(F)c1ccc2COCN(C(=O)c3cnc(Cl)nc3C(F)(F)F)c2c1
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| InChI |
InChI=1S/C15H8ClF6N3O2/c16-13-23-4-9(11(24-13)15(20,21)22)12(26)25-6-27-5-7-1-2-8(3-10(7)25)14(17,18)19/h1-4H,5-6H2
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| InChIKey |
VLQZZWXDZBWRLG-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