General Information of the Compound
| Compound ID |
CP0513711
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| Compound Name |
4-((5-(4-methoxybenzylthio)-1,3,4-thiadiazol-2-ylthio)methyl)benzoic acid
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| Structure |
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| Formula |
C18H16N2O3S3
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| Molecular Weight |
404.538
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| Canonical SMILES |
COc1ccc(CSc2nnc(SCc3ccc(cc3)C(O)=O)s2)cc1
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| InChI |
InChI=1S/C18H16N2O3S3/c1-23-15-8-4-13(5-9-15)11-25-18-20-19-17(26-18)24-10-12-2-6-14(7-3-12)16(21)22/h2-9H,10-11H2,1H3,(H,21,22)
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| InChIKey |
ICTOSNZJZZMDOZ-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