General Information of the Compound
| Compound ID |
CP0504641
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| Compound Name |
1-(2-Chloro-4-{[5-(2-hydroxyethyl)-5H-pyrrolo[3,2-d]pyrim idin-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 |
OCCn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
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| InChI |
InChI=1S/C22H17ClF3N5O3/c23-16-11-15(34-20-19-18(27-12-28-20)6-7-31(19)8-9-32)4-5-17(16)30-21(33)29-14-3-1-2-13(10-14)22(24,25)26/h1-7,10-12,32H,8-9H2,(H2,29,30,33)
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| InChIKey |
BJDIZSHPDXCEFW-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