General Information of the Compound
| Compound ID |
CP0567844
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| Compound Name |
N-[2-[[5-chloro-2-[[2-methyl-3-(morpholine-4-carbonyl)-1H-indol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C25H26ClN7O4S
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| Molecular Weight |
556.048
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| Canonical SMILES |
Cc1[nH]c2cc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)ccc2c1C(=O)N1CCOCC1
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| InChI |
InChI=1S/C25H26ClN7O4S/c1-15-22(24(34)33-9-11-37-12-10-33)17-8-7-16(13-21(17)28-15)29-25-27-14-18(26)23(31-25)30-19-5-3-4-6-20(19)32-38(2,35)36/h3-8,13-14,28,32H,9-12H2,1-2H3,(H2,27,29,30,31)
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| InChIKey |
SDVNXUSLFWQHQJ-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