General Information of the Compound
| Compound ID |
CP0166284
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| Compound Name |
N-[3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methylphenyl]-5-tert-butyl-2-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H29N9O
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| Molecular Weight |
495.591
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cc(nn2C)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
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| InChI |
InChI=1S/C27H29N9O/c1-16-10-11-17(31-25(37)21-13-22(27(2,3)4)34-35(21)5)12-19(16)33-26-32-18-8-6-7-9-20(18)36(26)24-14-23(28)29-15-30-24/h6-15H,1-5H3,(H,31,37)(H,32,33)(H2,28,29,30)
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| InChIKey |
SAMCEVLBPWDZMX-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