General Information of the Compound
| Compound ID |
CP0497935
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| Compound Name |
4-(2-ethylsulfanylcarbothioylsulfanylacetyl)-N-(2-phenoxyethyl)benzamide
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| Structure |
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| Formula |
C20H21NO3S3
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| Molecular Weight |
419.593
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(cc1)C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C20H21NO3S3/c1-2-26-20(25)27-14-18(22)15-8-10-16(11-9-15)19(23)21-12-13-24-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,21,23)
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| InChIKey |
RPYKDZGNYHZISA-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