General Information of the Compound
| Compound ID |
CP0166378
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| Compound Name |
3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)benzamide
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| Structure |
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| Formula |
C30H24F3N9O
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| Molecular Weight |
583.578
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| Canonical SMILES |
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C30H24F3N9O/c1-17-7-8-19(28(43)38-21-10-20(30(31,32)33)11-22(12-21)41-14-18(2)37-16-41)9-24(17)40-29-39-23-5-3-4-6-25(23)42(29)27-13-26(34)35-15-36-27/h3-16H,1-2H3,(H,38,43)(H,39,40)(H2,34,35,36)
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| InChIKey |
NHVGQRASKRTWLZ-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
Protein ID: PT01101, Insulin receptor
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT00876, Tyrosine-protein kinase Lck
Protein ID: PT00875, Tyrosine-protein kinase Lyn
Protein ID: PT00864, Vascular endothelial growth factor receptor 2