General Information of the Compound
| Compound ID |
CP0123231
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| Compound Name |
US8614253, 38-13
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| Structure |
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| Formula |
C11H9BrN2O2S
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| Molecular Weight |
313.176
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| Canonical SMILES |
COc1cc(Br)cc(\C=N\c2nccs2)c1O
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| InChI |
InChI=1S/C11H9BrN2O2S/c1-16-9-5-8(12)4-7(10(9)15)6-14-11-13-2-3-17-11/h2-6,15H,1H3/b14-6+
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| InChIKey |
PGWBOUAOTSSDPT-MKMNVTDBSA-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