General Information of the Compound
| Compound ID |
CP0014540
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| Compound Name |
5-[[2-[4-fluoro-3-(trifluoromethyl)anilino]-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C19H13F4N5O2
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| Molecular Weight |
419.338
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| Canonical SMILES |
Cc1cnc(Nc2ccc(F)c(c2)C(F)(F)F)nc1Nc1ccc2oc(=O)[nH]c2c1
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| InChI |
InChI=1S/C19H13F4N5O2/c1-9-8-24-17(26-10-2-4-13(20)12(6-10)19(21,22)23)28-16(9)25-11-3-5-15-14(7-11)27-18(29)30-15/h2-8H,1H3,(H,27,29)(H2,24,25,26,28)
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| InChIKey |
HOEWEBRVZCXJLP-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