General Information of the Compound
| Compound ID |
CP0532862
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| Compound Name |
[4-(1-benzothiophen-5-yl)phenyl] propane-1-sulfonate
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| Structure |
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| Formula |
C17H16O3S2
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| Molecular Weight |
332.446
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| Canonical SMILES |
CCCS(=O)(=O)Oc1ccc(cc1)-c1ccc2sccc2c1
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| InChI |
InChI=1S/C17H16O3S2/c1-2-11-22(18,19)20-16-6-3-13(4-7-16)14-5-8-17-15(12-14)9-10-21-17/h3-10,12H,2,11H2,1H3
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| InChIKey |
VPIIHEAGDAJDAP-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