General Information of the Compound
| Compound ID |
CP0166373
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| Compound Name |
3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-N-(isoquinolin-5-yl)-4-methylbenzamide
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| Structure |
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| Formula |
C28H22N8O
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| Molecular Weight |
486.539
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| Canonical SMILES |
Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C28H22N8O/c1-17-9-10-18(27(37)33-21-7-4-5-19-15-30-12-11-20(19)21)13-23(17)35-28-34-22-6-2-3-8-24(22)36(28)26-14-25(29)31-16-32-26/h2-16H,1H3,(H,33,37)(H,34,35)(H2,29,31,32)
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| InChIKey |
RLIRAMLOVOAWPN-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