General Information of the Compound
| Compound ID |
CP0373638
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| Compound Name |
1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-morpholin-4-yl-5-(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)Nc4cc(cc(c4)C(F)(F)F)N4CCOCC4)c(Cl)c3)c12
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| InChI |
InChI=1S/C25H22ClF3N6O3/c1-34-5-4-21-22(34)23(31-14-30-21)38-18-2-3-20(19(26)13-18)33-24(36)32-16-10-15(25(27,28)29)11-17(12-16)35-6-8-37-9-7-35/h2-5,10-14H,6-9H2,1H3,(H2,32,33,36)
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| InChIKey |
FABQZDSYMCCCAA-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