General Information of the Compound
| Compound ID |
CP0091721
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| Compound Name |
3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chloro-4-fluorophenyl)urea
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| Structure |
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| Formula |
C20H14ClFN4O2
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| Molecular Weight |
396.809
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| Canonical SMILES |
Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c12
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| InChI |
InChI=1S/C20H14ClFN4O2/c21-15-10-13(8-9-16(15)22)25-20(27)24-12-6-4-11(5-7-12)14-2-1-3-17-18(14)19(23)26-28-17/h1-10H,(H2,23,26)(H2,24,25,27)
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| InChIKey |
HBQCSNGUYNULNE-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