General Information of the Compound
| Compound ID |
CP0867712
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| Compound Name |
N-(2-thioxoimidazolidine-1-carbothioyl)-benzothiophen-2-carboxamide
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| Structure |
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| Formula |
C13H11N3OS3
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| Molecular Weight |
321.452
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| Canonical SMILES |
O=C(NC(=S)N1CCNC1=S)c1cc2ccccc2s1
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| InChI |
InChI=1S/C13H11N3OS3/c17-11(15-13(19)16-6-5-14-12(16)18)10-7-8-3-1-2-4-9(8)20-10/h1-4,7H,5-6H2,(H,14,18)(H,15,17,19)
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| InChIKey |
CCHBHSUIVKYJHR-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