General Information of the Compound
| Compound ID |
CP0523867
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| Compound Name |
1-(5-tert-butylisoxazol-3-yl)-3-(2-chloro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)phenyl)urea
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| Structure |
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| Formula |
C21H21ClN6O3
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| Molecular Weight |
440.891
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| Canonical SMILES |
Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)c(Cl)c3)c12
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| InChI |
InChI=1S/C21H21ClN6O3/c1-21(2,3)16-10-17(27-31-16)26-20(29)25-14-6-5-12(9-13(14)22)30-19-18-15(23-11-24-19)7-8-28(18)4/h5-11H,1-4H3,(H2,25,26,27,29)
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| InChIKey |
VRFCECOEWLDCBE-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