General Information of the Compound
| Compound ID |
CP0553142
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| Compound Name |
4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
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| Structure |
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| Formula |
C17H17N3O2S3
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| Molecular Weight |
391.543
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| Canonical SMILES |
COc1ccc(cc1OC)-c1csc(n1)-c1cc(sc1SC)C(N)=N
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| InChI |
InChI=1S/C17H17N3O2S3/c1-21-12-5-4-9(6-13(12)22-2)11-8-24-16(20-11)10-7-14(15(18)19)25-17(10)23-3/h4-8H,1-3H3,(H3,18,19)
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| InChIKey |
OKVKLZPKRNEJKI-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