General Information of the Compound
| Compound ID |
CP0520858
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| Compound Name |
2-[[5-chloro-2-[[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C23H25ClN8O
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| Molecular Weight |
464.961
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| Canonical SMILES |
CN(C)Cc1nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N(C)C)n3)cc2[nH]1
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| InChI |
InChI=1S/C23H25ClN8O/c1-31(2)13-20-27-18-10-9-14(11-19(18)28-20)26-23-25-12-16(24)21(30-23)29-17-8-6-5-7-15(17)22(33)32(3)4/h5-12H,13H2,1-4H3,(H,27,28)(H2,25,26,29,30)
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| InChIKey |
HHJKVSLHPQFAQK-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: PT01203, ALK tyrosine kinase receptor
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3