General Information of the Compound
| Compound ID |
CP0309066
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| Compound Name |
3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-N-(3-isopropylphenyl)-4-methylbenzamide
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| Structure |
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| Formula |
C28H27N7O
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| Molecular Weight |
477.572
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| Canonical SMILES |
CC(C)c1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1
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| InChI |
InChI=1S/C28H27N7O/c1-17(2)19-7-6-8-21(13-19)32-27(36)20-12-11-18(3)23(14-20)34-28-33-22-9-4-5-10-24(22)35(28)26-15-25(29)30-16-31-26/h4-17H,1-3H3,(H,32,36)(H,33,34)(H2,29,30,31)
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| InChIKey |
OYFMIXVMTCYDNY-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