General Information of the Compound
| Compound ID |
CP0402143
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| Compound Name |
1-[2-Chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-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 |
C24H21ClF3N5O4
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| Molecular Weight |
535.91
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| Canonical SMILES |
OCCOCCn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
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| InChI |
InChI=1S/C24H21ClF3N5O4/c25-18-13-17(37-22-21-20(29-14-30-22)6-7-33(21)8-10-36-11-9-34)4-5-19(18)32-23(35)31-16-3-1-2-15(12-16)24(26,27)28/h1-7,12-14,34H,8-11H2,(H2,31,32,35)
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| InChIKey |
HZMLMSFEXUJVAY-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