General Information of the Compound
| Compound ID |
CP0371781
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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-ylmethyl)-3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C26H24ClF3N6O3
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| Molecular Weight |
560.964
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| Canonical SMILES |
Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(CN5CCOCC5)c(c4)C(F)(F)F)c(Cl)c3)c12
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| InChI |
InChI=1S/C26H24ClF3N6O3/c1-35-7-6-22-23(35)24(32-15-31-22)39-18-4-5-21(20(27)13-18)34-25(37)33-17-3-2-16(19(12-17)26(28,29)30)14-36-8-10-38-11-9-36/h2-7,12-13,15H,8-11,14H2,1H3,(H2,33,34,37)
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| InChIKey |
CDGSLGKNTRKVQZ-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