General Information of the Compound
| Compound ID |
CP0469395
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| Compound Name |
N-[4-(3-bromo-4-fluoroanilino)-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C24H24BrFN6O
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| Molecular Weight |
511.399
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| Canonical SMILES |
CC(C)(C)C(=O)Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccn3)[nH]c2n1
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| InChI |
InChI=1S/C24H24BrFN6O/c1-24(2,3)22(33)32-23-30-20-17(12-15(28-20)8-7-14-6-4-5-11-27-14)21(31-23)29-16-9-10-19(26)18(25)13-16/h4-6,9-13H,7-8H2,1-3H3,(H3,28,29,30,31,32,33)
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| InChIKey |
YVZYNRNDTAXXKA-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: PT00922, Epidermal growth factor receptor
Protein ID: PT00844, Platelet-derived growth factor receptor beta