General Information of the Compound
| Compound ID |
CP0372895
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| Compound Name |
1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-ethylsulfanylcarbothioylsulfanylethanone
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| Structure |
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| Formula |
C15H15NO3S4
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| Molecular Weight |
385.557
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccn(c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C15H15NO3S4/c1-2-21-15(20)22-11-14(17)12-8-9-16(10-12)23(18,19)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3
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| InChIKey |
DDFYPRWDRDFLSI-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