General Information of the Compound
| Compound ID |
CP0514616
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| Compound Name |
1-{[(-)-6-Chloro-2-oxo-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C17H12ClF4N3O3
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| Molecular Weight |
417.746
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| Canonical SMILES |
Fc1ccc(NC(=O)NCC2(OC(=O)Nc3ccc(Cl)cc23)C(F)(F)F)cc1
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| InChI |
InChI=1S/C17H12ClF4N3O3/c18-9-1-6-13-12(7-9)16(17(20,21)22,28-15(27)25-13)8-23-14(26)24-11-4-2-10(19)3-5-11/h1-7H,8H2,(H,25,27)(H2,23,24,26)
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| InChIKey |
BJJLMCGAKMRHBT-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