General Information of the Compound
| Compound ID |
CP0444678
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| Compound Name |
N-[2-[[5-chloro-2-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C24H27ClN8O2S
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| Molecular Weight |
527.054
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| Canonical SMILES |
CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)ncc1Cl
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| InChI |
InChI=1S/C24H27ClN8O2S/c1-36(34,35)32-20-8-4-3-7-18(20)30-23-17(25)14-26-24(31-23)27-16-9-10-19-21(13-16)29-22(28-19)15-33-11-5-2-6-12-33/h3-4,7-10,13-14,32H,2,5-6,11-12,15H2,1H3,(H,28,29)(H2,26,27,30,31)
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| InChIKey |
KHFZOBVPJLNOME-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000300 | Karpas-299 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 68 nM
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