General Information of the Compound
| Compound ID |
CP0279172
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| Compound Name |
4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
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| Structure |
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| Formula |
C15H12ClN3S3
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| Molecular Weight |
365.936
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| Canonical SMILES |
CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N
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| InChI |
InChI=1S/C15H12ClN3S3/c1-20-15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18)
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| InChIKey |
OMMIMDGHTTXEFT-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