General Information of the Compound
| Compound ID |
CP0517112
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| Compound Name |
6-(3-chloro-5-fluorophenyl)-4,4-dimethyl-1H-3,1-benzoxazine-2-thione
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| Structure |
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| Formula |
C16H13ClFNOS
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| Molecular Weight |
321.804
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| Canonical SMILES |
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(F)cc(Cl)c1
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| InChI |
InChI=1S/C16H13ClFNOS/c1-16(2)13-7-9(3-4-14(13)19-15(21)20-16)10-5-11(17)8-12(18)6-10/h3-8H,1-2H3,(H,19,21)
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| InChIKey |
JGZLNKUOAMAIAG-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