General Information of the Compound
| Compound ID |
CP0507537
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| Compound Name |
1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C25H22ClF3N6O3
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| Molecular Weight |
546.937
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| Canonical SMILES |
Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(N5CCOCC5)c(c4)C(F)(F)F)c(Cl)c3)c12
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| InChI |
InChI=1S/C25H22ClF3N6O3/c1-34-7-6-20-22(34)23(31-14-30-20)38-16-3-4-19(18(26)13-16)33-24(36)32-15-2-5-21(17(12-15)25(27,28)29)35-8-10-37-11-9-35/h2-7,12-14H,8-11H2,1H3,(H2,32,33,36)
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| InChIKey |
LPJWLEWNHDOAQS-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