General Information of the Compound
| Compound ID |
CP0036978
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| Compound Name |
3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C22H17F3N4O3
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| Molecular Weight |
442.397
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| Canonical SMILES |
COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
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| InChI |
InChI=1S/C22H17F3N4O3/c1-31-17-10-9-16(18-19(17)32-29-20(18)26)12-5-7-14(8-6-12)27-21(30)28-15-4-2-3-13(11-15)22(23,24)25/h2-11H,1H3,(H2,26,29)(H2,27,28,30)
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| InChIKey |
PATGADWTCHRVOQ-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