General Information of the Compound
| Compound ID |
CP0511085
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| Compound Name |
3-Benzylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid
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| Structure |
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| Formula |
C16H14O3S2
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| Molecular Weight |
318.419
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| Canonical SMILES |
OC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
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| InChI |
InChI=1S/C16H14O3S2/c17-12-8-4-7-11-13(12)16(21-14(11)15(18)19)20-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,18,19)
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| InChIKey |
MZOHOVZOVHUMCJ-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