General Information of the Compound
| Compound ID |
CP0015030
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| Compound Name |
5-[[2-[3-(difluoromethyl)-5-methoxyanilino]-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C20H17F2N5O3
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| Molecular Weight |
413.384
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| Canonical SMILES |
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(c1)C(F)F
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| InChI |
InChI=1S/C20H17F2N5O3/c1-10-9-23-19(25-13-5-11(17(21)22)6-14(7-13)29-2)27-18(10)24-12-3-4-16-15(8-12)26-20(28)30-16/h3-9,17H,1-2H3,(H,26,28)(H2,23,24,25,27)
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| InChIKey |
HXRHQLSAMGVMPZ-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