General Information of the Compound
| Compound ID |
CP0151357
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| Compound Name |
N-[3-[[1-[6-(2-methoxyethylamino)pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C29H26F3N7O2
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| Molecular Weight |
561.568
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| Canonical SMILES |
COCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
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| InChI |
InChI=1S/C29H26F3N7O2/c1-18-10-11-21(36-27(40)19-6-5-7-20(14-19)29(30,31)32)15-23(18)38-28-37-22-8-3-4-9-24(22)39(28)26-16-25(34-17-35-26)33-12-13-41-2/h3-11,14-17H,12-13H2,1-2H3,(H,36,40)(H,37,38)(H,33,34,35)
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| InChIKey |
WLXHZMYOVDOALX-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