General Information of the Compound
| Compound ID |
CP0166279
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| Compound Name |
3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methyl-N-(2-methylpyridin-4-yl)benzamide
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| Structure |
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| Formula |
C25H22N8O
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| Molecular Weight |
450.506
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| Canonical SMILES |
Cc1cc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)ccn1
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| InChI |
InChI=1S/C25H22N8O/c1-15-7-8-17(24(34)30-18-9-10-27-16(2)11-18)12-20(15)32-25-31-19-5-3-4-6-21(19)33(25)23-13-22(26)28-14-29-23/h3-14H,1-2H3,(H,31,32)(H2,26,28,29)(H,27,30,34)
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| InChIKey |
DBHCVYPQRZQCEG-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