General Information of the Compound
| Compound ID |
CP0387940
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| Compound Name |
N-(2,6-dimethylphenyl)-4-[[4,5-dimethyl-6-[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 |
Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc(C)c(C)c(n2)-c2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C28H25F3N4O2/c1-16-6-5-7-17(2)24(16)34-26(36)21-8-12-22(13-9-21)33-27-32-19(4)18(3)25(35-27)20-10-14-23(15-11-20)37-28(29,30)31/h5-15H,1-4H3,(H,34,36)(H,32,33,35)
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| InChIKey |
MRSUEPXGFFTGJH-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