General Information of the Compound
| Compound ID |
CP0268700
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| Compound Name |
N-[3-[[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H24F3N7O2
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| Molecular Weight |
547.541
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCO)ncn1
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| InChI |
InChI=1S/C28H24F3N7O2/c1-17-9-10-20(35-26(40)18-5-4-6-19(13-18)28(29,30)31)14-22(17)37-27-36-21-7-2-3-8-23(21)38(27)25-15-24(32-11-12-39)33-16-34-25/h2-10,13-16,39H,11-12H2,1H3,(H,35,40)(H,36,37)(H,32,33,34)
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| InChIKey |
HHVUDVWMACNSOB-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