General Information of the Compound
| Compound ID |
CP0562585
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| Compound Name |
N-[2-[[5-chloro-2-[[2-methyl-3-(4-methylpiperidine-1-carbonyl)-1H-indol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C27H30ClN7O3S
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| Molecular Weight |
568.103
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| Canonical SMILES |
CC1CCN(CC1)C(=O)c1c(C)[nH]c2cc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)ccc12
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| InChI |
InChI=1S/C27H30ClN7O3S/c1-16-10-12-35(13-11-16)26(36)24-17(2)30-23-14-18(8-9-19(23)24)31-27-29-15-20(28)25(33-27)32-21-6-4-5-7-22(21)34-39(3,37)38/h4-9,14-16,30,34H,10-13H2,1-3H3,(H2,29,31,32,33)
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| InChIKey |
IDOYZDKYHYCQEW-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