General Information of the Compound
| Compound ID |
CP0072523
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| Compound Name |
N-[2-[[2-(oxan-4-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C19H20F3N5O2
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| Molecular Weight |
407.396
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| Canonical SMILES |
FC(F)(F)c1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
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| InChI |
InChI=1S/C19H20F3N5O2/c1-2-16(28)25-14-5-3-4-6-15(14)26-17-13(19(20,21)22)11-23-18(27-17)24-12-7-9-29-10-8-12/h2-6,11-12H,1,7-10H2,(H,25,28)(H2,23,24,26,27)
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| InChIKey |
COSHZQYMYFJMAZ-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