General Information of the Compound
| Compound ID |
CP0463220
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| Compound Name |
4-(isothiocyanatomethyl)benzenesulfonamide
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| Structure |
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| Formula |
C8H8N2O2S2
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| Molecular Weight |
228.298
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| Canonical SMILES |
NS(=O)(=O)c1ccc(CN=C=S)cc1
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| InChI |
InChI=1S/C8H8N2O2S2/c9-14(11,12)8-3-1-7(2-4-8)5-10-6-13/h1-4H,5H2,(H2,9,11,12)
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| InChIKey |
ULZLNKDNBDCKLD-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