General Information of the Compound
| Compound ID |
CP0181870
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| Compound Name |
3-(1-(6-(2-cyanoethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
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| Structure |
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| Formula |
C29H23F3N8O
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| Molecular Weight |
556.552
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| Canonical SMILES |
Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(NCCC#N)ncn1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H23F3N8O/c1-18-10-11-19(27(41)37-21-7-4-6-20(15-21)29(30,31)32)14-23(18)39-28-38-22-8-2-3-9-24(22)40(28)26-16-25(35-17-36-26)34-13-5-12-33/h2-4,6-11,14-17H,5,13H2,1H3,(H,37,41)(H,38,39)(H,34,35,36)
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| InChIKey |
YXYHBHJWEGGSMU-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