General Information of the Compound
| Compound ID |
CP0461077
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| Compound Name |
5-Benzylsulfanyl-4-[4-(4-chloro-phenyl)-thiazol-2-yl]-thiophene-2-carboxamidine
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| Structure |
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| Formula |
C21H16ClN3S3
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| Molecular Weight |
442.034
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| Canonical SMILES |
NC(=N)c1cc(c(SCc2ccccc2)s1)-c1nc(cs1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H16ClN3S3/c22-15-8-6-14(7-9-15)17-12-26-20(25-17)16-10-18(19(23)24)28-21(16)27-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H3,23,24)
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| InChIKey |
PDKZNOIFSOINJV-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