General Information of the Compound
| Compound ID |
CP0527481
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| Compound Name |
5-(4-Methoxy-benzylsulfanyl)-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
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| Structure |
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| Formula |
C22H19N3OS3
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| Molecular Weight |
437.615
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| Canonical SMILES |
COc1ccc(CSc2sc(cc2-c2nc(cs2)-c2ccccc2)C(N)=N)cc1
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| InChI |
InChI=1S/C22H19N3OS3/c1-26-16-9-7-14(8-10-16)12-28-22-17(11-19(29-22)20(23)24)21-25-18(13-27-21)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H3,23,24)
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| InChIKey |
UZRPEXUMIZAQBZ-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