General Information of the Compound
| Compound ID |
CP0166376
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| Compound Name |
N-[3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methylphenyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H23N9O
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| Molecular Weight |
465.521
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cc(n[nH]2)C2CC2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
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| InChI |
InChI=1S/C25H23N9O/c1-14-6-9-16(29-24(35)20-11-19(32-33-20)15-7-8-15)10-18(14)31-25-30-17-4-2-3-5-21(17)34(25)23-12-22(26)27-13-28-23/h2-6,9-13,15H,7-8H2,1H3,(H,29,35)(H,30,31)(H,32,33)(H2,26,27,28)
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| InChIKey |
YCGAVAFYTUFYPA-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