General Information of the Compound
| Compound ID |
CP0059149
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| Compound Name |
3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)urea
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| Structure |
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| Formula |
C22H19FN4O3
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| Molecular Weight |
406.417
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| Canonical SMILES |
COc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)noc12
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| InChI |
InChI=1S/C22H19FN4O3/c1-12-3-9-16(23)17(11-12)26-22(28)25-14-6-4-13(5-7-14)15-8-10-18(29-2)20-19(15)21(24)27-30-20/h3-11H,1-2H3,(H2,24,27)(H2,25,26,28)
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| InChIKey |
SWNPCLQLHUWVAZ-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2