General Information of the Compound
| Compound ID |
CP0399614
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| Compound Name |
2-(5-(naphthalen-1-ylmethylthio)-1,3,4-thiadiazol-2-ylthio)acetic acid
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| Structure |
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| Formula |
C15H12N2O2S3
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| Molecular Weight |
348.474
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| Canonical SMILES |
OC(=O)CSc1nnc(SCc2cccc3ccccc23)s1
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| InChI |
InChI=1S/C15H12N2O2S3/c18-13(19)9-21-15-17-16-14(22-15)20-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,18,19)
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| InChIKey |
QLINTXGYEJMNBU-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