General Information of the Compound
| Compound ID |
CP0426821
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| Compound Name |
6-(2-pyridin-2-ylethyl)-4-N-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H17F3N6
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| Molecular Weight |
398.392
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| Canonical SMILES |
Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccn3)[nH]c2n1
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| InChI |
InChI=1S/C20H17F3N6/c21-20(22,23)12-4-3-6-14(10-12)26-17-16-11-15(27-18(16)29-19(24)28-17)8-7-13-5-1-2-9-25-13/h1-6,9-11H,7-8H2,(H4,24,26,27,28,29)
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| InChIKey |
FSZWSFUFUGCRLD-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: PT00864, Vascular endothelial growth factor receptor 2