General Information of the Compound
| Compound ID |
CP0037245
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| Compound Name |
3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C21H15F3N4O2
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| Molecular Weight |
412.371
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| Canonical SMILES |
Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3)c12
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| InChI |
InChI=1S/C21H15F3N4O2/c22-21(23,24)13-6-10-15(11-7-13)27-20(29)26-14-8-4-12(5-9-14)16-2-1-3-17-18(16)19(25)28-30-17/h1-11H,(H2,25,28)(H2,26,27,29)
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| InChIKey |
TVECXYJHKWEHKM-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