General Information of the Compound
| Compound ID |
CP0369561
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| Compound Name |
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(6-methoxypyridin-3-yl)amino]-1,2-thiazole-4-carboxamide
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| Structure |
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| Formula |
C17H15ClN4O2S2
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| Molecular Weight |
406.92
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| Canonical SMILES |
COc1ccc(Nc2snc(SCc3ccc(Cl)cc3)c2C(N)=O)cn1
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| InChI |
InChI=1S/C17H15ClN4O2S2/c1-24-13-7-6-12(8-20-13)21-16-14(15(19)23)17(22-26-16)25-9-10-2-4-11(18)5-3-10/h2-8,21H,9H2,1H3,(H2,19,23)
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| InChIKey |
OYVOITSEETVYOR-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