General Information of the Compound
| Compound ID |
CP0471648
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| Compound Name |
N-[5-[[benzyl(methyl)amino]methyl]-2-methylphenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C35H32F3N5O2
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| Molecular Weight |
611.668
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| Canonical SMILES |
CN(Cc1ccccc1)Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(C)c(n3)-c3ccc(OC(F)(F)F)cc3)cc2)c1
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| InChI |
InChI=1S/C35H32F3N5O2/c1-23-9-10-26(22-43(3)21-25-7-5-4-6-8-25)19-31(23)41-33(44)28-11-15-29(16-12-28)40-34-39-20-24(2)32(42-34)27-13-17-30(18-14-27)45-35(36,37)38/h4-20H,21-22H2,1-3H3,(H,41,44)(H,39,40,42)
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| InChIKey |
ZKEUVZANLIVPOD-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