General Information of the Compound
| Compound ID |
CP0020240
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| Compound Name |
8-methylsulfanyl-N-pyridin-2-yl-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide
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| Structure |
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| Formula |
C16H13N3OS3
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| Molecular Weight |
359.501
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| Canonical SMILES |
CSc1sc(C(=O)Nc2ccccn2)c2CCc3cnsc3-c12
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| InChI |
InChI=1S/C16H13N3OS3/c1-21-16-12-10(6-5-9-8-18-23-13(9)12)14(22-16)15(20)19-11-4-2-3-7-17-11/h2-4,7-8H,5-6H2,1H3,(H,17,19,20)
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| InChIKey |
XKOVBCPMWPZBSI-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