General Information of the Compound
| Compound ID |
CP0412941
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| Compound Name |
[4-(1-benzothiophen-5-yl)phenyl] sulfamate
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| Structure |
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| Formula |
C14H11NO3S2
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| Molecular Weight |
305.38
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| Canonical SMILES |
NS(=O)(=O)Oc1ccc(cc1)-c1ccc2sccc2c1
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| InChI |
InChI=1S/C14H11NO3S2/c15-20(16,17)18-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19-14/h1-9H,(H2,15,16,17)
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| InChIKey |
LVWGYEZQMYKONG-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
Protein ID: PT00841, Carbonic anhydrase 12
Protein ID: PT00836, Carbonic anhydrase 2