General Information of the Compound
| Compound ID |
CP0849163
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| Compound Name |
N-(5,6-dihydro-3H-imidazo[2,1-c]-1,2,4-dithiazol-3-ylidene)-benzothiophen-2-carboxamide
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| Formula |
C13H9N3OS3
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| Molecular Weight |
319.436
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| Canonical SMILES |
O=C(/N=C1\SSC2=NCCN21)c1cc2ccccc2s1
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| InChI |
InChI=1S/C13H9N3OS3/c17-11(10-7-8-3-1-2-4-9(8)18-10)15-13-16-6-5-14-12(16)19-20-13/h1-4,7H,5-6H2/b15-13-
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| InChIKey |
YQJBRORHPUFQNX-SQFISAMPSA-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