General Information of the Compound
| Compound ID |
CP0460845
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| Compound Name |
6-(3-Bromo-5-fluoro-phenyl)-1,4,4-trimethyl-1,4-dihydro-benzo[d][1,3]oxazine-2-thione
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| Structure |
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| Formula |
C17H15BrFNOS
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| Molecular Weight |
380.282
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| Canonical SMILES |
CN1C(=S)OC(C)(C)c2cc(ccc12)-c1cc(F)cc(Br)c1
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| InChI |
InChI=1S/C17H15BrFNOS/c1-17(2)14-8-10(11-6-12(18)9-13(19)7-11)4-5-15(14)20(3)16(22)21-17/h4-9H,1-3H3
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| InChIKey |
AAZLXHMTANMOOL-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