General Information of the Compound
| Compound ID |
CP0550237
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| Compound Name |
6-[[5-chloro-4-[2-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-N,N,2-trimethyl-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C24H24ClN7O2
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| Molecular Weight |
477.956
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(C(=O)N(C)C)c(C)[nH]c3c2)ncc1Cl
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| InChI |
InChI=1S/C24H24ClN7O2/c1-13-20(23(34)32(3)4)15-10-9-14(11-19(15)28-13)29-24-27-12-17(25)21(31-24)30-18-8-6-5-7-16(18)22(33)26-2/h5-12,28H,1-4H3,(H,26,33)(H2,27,29,30,31)
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| InChIKey |
NQJLJKFROUEMTA-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