General Information of the Compound
| Compound ID |
CP0427791
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| Compound Name |
1-(2-Chloro-4-{[6-(hydroxymethyl)-5-methyl-5H-pyrrolo [3,2-d]pyrimidin-4-yl]oxy}phenyl)-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C22H17ClF3N5O3
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| Molecular Weight |
491.857
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| Canonical SMILES |
Cn1c(CO)cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
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| InChI |
InChI=1S/C22H17ClF3N5O3/c1-31-14(10-32)8-18-19(31)20(28-11-27-18)34-15-5-6-17(16(23)9-15)30-21(33)29-13-4-2-3-12(7-13)22(24,25)26/h2-9,11,32H,10H2,1H3,(H2,29,30,33)
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| InChIKey |
TZUJSYZUVNKMNJ-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