General Information of the Compound
| Compound ID |
CP0814302
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| Compound Name |
S-(4-Methanesulfonylbenzyl)isothiourea hydrobromide
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| Structure |
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| Formula |
C9H13BrN2O2S2
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| Molecular Weight |
325.253
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| Canonical SMILES |
Br.CS(=O)(=O)c1ccc(CSC(=N)N)cc1
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| InChI |
InChI=1S/C9H12N2O2S2.BrH/c1-15(12,13)8-4-2-7(3-5-8)6-14-9(10)11;/h2-5H,6H2,1H3,(H3,10,11);1H
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| InChIKey |
VVHFKZOVTLSJRV-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