General Information of the Compound
| Compound ID |
CP0448890
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| Compound Name |
8-bromo-6-(4-chloro-3-fluorophenyl)-4,4-dimethyl-1H-3,1-benzoxazine-2-thione
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| Structure |
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| Formula |
C16H12BrClFNOS
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| Molecular Weight |
400.7
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| Canonical SMILES |
CC1(C)OC(=S)Nc2c(Br)cc(cc12)-c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C16H12BrClFNOS/c1-16(2)10-5-9(8-3-4-12(18)13(19)7-8)6-11(17)14(10)20-15(22)21-16/h3-7H,1-2H3,(H,20,22)
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| InChIKey |
LGCLNWPGTFJGOQ-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