General Information of the Compound
| Compound ID |
CP0428919
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| Compound Name |
N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[4,3-d]pyrimidin-2-yl]pyridin-3-yl]methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C25H20F5N5O2
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| Molecular Weight |
517.458
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| Canonical SMILES |
CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H20F5N5O2/c1-12(2)23(36)33-10-13-7-16(20(21(26)27)32-9-13)22-34-19-8-18(31-11-17(19)24(37)35-22)14-3-5-15(6-4-14)25(28,29)30/h3-9,11-12,21H,10H2,1-2H3,(H,33,36)(H,34,35,37)
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| InChIKey |
NXZOLQYZYQOURS-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