General Information of the Compound
| Compound ID |
CP0497213
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| Compound Name |
1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]urea
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| Structure |
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| Formula |
C19H15ClF3N7O2
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| Molecular Weight |
465.823
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| Canonical SMILES |
Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cnn(CC(F)(F)F)c4)c(Cl)c3)c12
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| InChI |
InChI=1S/C19H15ClF3N7O2/c1-29-5-4-15-16(29)17(25-10-24-15)32-12-2-3-14(13(20)6-12)28-18(31)27-11-7-26-30(8-11)9-19(21,22)23/h2-8,10H,9H2,1H3,(H2,27,28,31)
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| InChIKey |
NDKSGMZPQSPVNP-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