General Information of the Compound
| Compound ID |
CP0047178
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| Compound Name |
4-[2-[(5E)-5-(4-chlorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C18H15ClN2O3S3
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| Molecular Weight |
438.983
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| Canonical SMILES |
NS(=O)(=O)c1ccc(CCN2C(=S)S\C(=C\c3ccc(Cl)cc3)C2=O)cc1
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| InChI |
InChI=1S/C18H15ClN2O3S3/c19-14-5-1-13(2-6-14)11-16-17(22)21(18(25)26-16)10-9-12-3-7-15(8-4-12)27(20,23)24/h1-8,11H,9-10H2,(H2,20,23,24)/b16-11+
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| InChIKey |
HBKQIISXGIQMKD-LFIBNONCSA-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: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8