General Information of the Compound
| Compound ID |
CP0570806
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| Compound Name |
methyl 6-[[5-chloro-4-[2-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-2-methyl-1H-indole-3-carboxylate
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| Structure |
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| Formula |
C23H21ClN6O3
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| Molecular Weight |
464.913
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(C(=O)OC)c(C)[nH]c3c2)ncc1Cl
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| InChI |
InChI=1S/C23H21ClN6O3/c1-12-19(22(32)33-3)14-9-8-13(10-18(14)27-12)28-23-26-11-16(24)20(30-23)29-17-7-5-4-6-15(17)21(31)25-2/h4-11,27H,1-3H3,(H,25,31)(H2,26,28,29,30)
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| InChIKey |
NVUPNUYPCRNJSF-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