General Information of the Compound
| Compound ID |
CP0301164
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| Compound Name |
3,5-bis(prop-2-ynylsulfanyl)-1,2-thiazole-4-carbonitrile
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| Structure |
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| Formula |
C10H6N2S3
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| Molecular Weight |
250.373
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| Canonical SMILES |
C#CCSc1nsc(SCC#C)c1C#N
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| InChI |
InChI=1S/C10H6N2S3/c1-3-5-13-9-8(7-11)10(15-12-9)14-6-4-2/h1-2H,5-6H2
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| InChIKey |
XWYJKRZSAPDODU-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