General Information of the Compound
| Compound ID |
CP0498355
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| Compound Name |
6-(5-bromopyridin-3-yl)-4,4-dimethyl-1H-3,1-benzoxazine-2-thione
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| Structure |
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| Formula |
C15H13BrN2OS
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| Molecular Weight |
349.253
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| Canonical SMILES |
CC1(C)OC(=S)Nc2ccc(cc12)-c1cncc(Br)c1
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| InChI |
InChI=1S/C15H13BrN2OS/c1-15(2)12-6-9(10-5-11(16)8-17-7-10)3-4-13(12)18-14(20)19-15/h3-8H,1-2H3,(H,18,20)
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| InChIKey |
GHELUGIZMVFOKT-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