General Information of the Compound
| Compound ID |
CP0487775
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| Compound Name |
N-(2,6-dimethylphenyl)-4-[[5-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C28H25F3N4O2
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| Molecular Weight |
506.528
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| Canonical SMILES |
CCc1cnc(Nc2ccc(cc2)C(=O)Nc2c(C)cccc2C)nc1-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C28H25F3N4O2/c1-4-19-16-32-27(35-25(19)20-10-14-23(15-11-20)37-28(29,30)31)33-22-12-8-21(9-13-22)26(36)34-24-17(2)6-5-7-18(24)3/h5-16H,4H2,1-3H3,(H,34,36)(H,32,33,35)
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| InChIKey |
KSYOMFKYSRLDGS-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