General Information of the Compound
| Compound ID |
CP0059140
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| Compound Name |
3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C21H14F4N4O2
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| Molecular Weight |
430.361
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| Canonical SMILES |
Nc1noc2cccc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
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| InChI |
InChI=1S/C21H14F4N4O2/c22-15-9-6-12(21(23,24)25)10-16(15)28-20(30)27-13-7-4-11(5-8-13)14-2-1-3-17-18(14)19(26)29-31-17/h1-10H,(H2,26,29)(H2,27,28,30)
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| InChIKey |
DHSKSBMVWDEGIA-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