General Information of the Compound
| Compound ID |
CP0166283
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| Compound Name |
N-[3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methylphenyl]-3-methylbenzamide
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| Structure |
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| Formula |
C26H23N7O
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| Molecular Weight |
449.518
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| Canonical SMILES |
Cc1cccc(c1)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1
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| InChI |
InChI=1S/C26H23N7O/c1-16-6-5-7-18(12-16)25(34)30-19-11-10-17(2)21(13-19)32-26-31-20-8-3-4-9-22(20)33(26)24-14-23(27)28-15-29-24/h3-15H,1-2H3,(H,30,34)(H,31,32)(H2,27,28,29)
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| InChIKey |
AYZBGELVIWCHIM-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