General Information of the Compound
| Compound ID |
CP0543581
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| Compound Name |
2-[[5-chloro-2-[[2-methyl-3-(4-methylpiperidine-1-carbonyl)-1H-indol-6-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C28H30ClN7O2
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| Molecular Weight |
532.048
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(C(=O)N4CCC(C)CC4)c(C)[nH]c3c2)ncc1Cl
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| InChI |
InChI=1S/C28H30ClN7O2/c1-16-10-12-36(13-11-16)27(38)24-17(2)32-23-14-18(8-9-19(23)24)33-28-31-15-21(29)25(35-28)34-22-7-5-4-6-20(22)26(37)30-3/h4-9,14-16,32H,10-13H2,1-3H3,(H,30,37)(H2,31,33,34,35)
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| InChIKey |
UBOIYRRBODYKCS-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