General Information of the Compound
| Compound ID |
CP0434833
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| Compound Name |
1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-methoxy-5-(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 |
COc1cc(NC(=O)Nc2ccc(Oc3ncnc4ccn(C)c34)cc2Cl)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H17ClF3N5O3/c1-31-6-5-18-19(31)20(28-11-27-18)34-14-3-4-17(16(23)10-14)30-21(32)29-13-7-12(22(24,25)26)8-15(9-13)33-2/h3-11H,1-2H3,(H2,29,30,32)
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| InChIKey |
VBATWIHUVYQTSY-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