General Information of the Compound
| Compound ID |
CP0507920
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| Compound Name |
1-(2-Chloro-4-{[6-(1-hydroxy-1-methylethyl)-5-methyl-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 |
C24H21ClF3N5O3
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| Molecular Weight |
519.911
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| Canonical SMILES |
Cn1c(cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)C(C)(C)O
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| InChI |
InChI=1S/C24H21ClF3N5O3/c1-23(2,35)19-11-18-20(33(19)3)21(30-12-29-18)36-15-7-8-17(16(25)10-15)32-22(34)31-14-6-4-5-13(9-14)24(26,27)28/h4-12,35H,1-3H3,(H2,31,32,34)
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| InChIKey |
NEIGGNLDCSPIJQ-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