General Information of the Compound
| Compound ID |
CP0372739
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| Compound Name |
1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[5-(trifluoromethyl)pyridin-3-yl]urea
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| Structure |
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| Formula |
C20H14ClF3N6O2
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| Molecular Weight |
462.819
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| Canonical SMILES |
Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cncc(c4)C(F)(F)F)c(Cl)c3)c12
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| InChI |
InChI=1S/C20H14ClF3N6O2/c1-30-5-4-16-17(30)18(27-10-26-16)32-13-2-3-15(14(21)7-13)29-19(31)28-12-6-11(8-25-9-12)20(22,23)24/h2-10H,1H3,(H2,28,29,31)
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| InChIKey |
KFAFRWFUXQYYSW-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: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2