General Information of the Compound
| Compound ID |
CP0427786
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| Compound Name |
1-(3-tert-Butyl-1-methyl-1H-pyrazol-5-yl)-3-{2-chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}urea
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| Structure |
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| Formula |
C22H24ClN7O2
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| Molecular Weight |
453.934
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| Canonical SMILES |
Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(nn4C)C(C)(C)C)c(Cl)c3)c12
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| InChI |
InChI=1S/C22H24ClN7O2/c1-22(2,3)17-11-18(30(5)28-17)27-21(31)26-15-7-6-13(10-14(15)23)32-20-19-16(24-12-25-20)8-9-29(19)4/h6-12H,1-5H3,(H2,26,27,31)
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| InChIKey |
PTVGLJNCRIJPAG-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