General Information of the Compound
| Compound ID |
CP0520828
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| Compound Name |
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
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| Structure |
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| Formula |
C29H23F3N6O
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| Molecular Weight |
528.538
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| Canonical SMILES |
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H23F3N6O/c1-18-8-9-21(12-26(18)37-28-33-11-10-25(36-28)20-6-4-3-5-7-20)27(39)35-23-13-22(29(30,31)32)14-24(15-23)38-16-19(2)34-17-38/h3-17H,1-2H3,(H,35,39)(H,33,36,37)
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| InChIKey |
FFHGFIPSLLZCLF-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