General Information of the Compound
| Compound ID |
CP0562804
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| Compound Name |
2-[[5-chloro-2-[[2-(pyrrolidin-1-ylmethyl)-3H-benzimidazol-5-yl]amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C25H27ClN8O
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| Molecular Weight |
490.999
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| Canonical SMILES |
CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc3nc(CN4CCCC4)[nH]c3c2)ncc1Cl
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| InChI |
InChI=1S/C25H27ClN8O/c1-33(2)24(35)17-7-3-4-8-19(17)31-23-18(26)14-27-25(32-23)28-16-9-10-20-21(13-16)30-22(29-20)15-34-11-5-6-12-34/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3,(H,29,30)(H2,27,28,31,32)
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| InChIKey |
WTEVQSAOHYKUTI-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