General Information of the Compound
| Compound ID |
CP0369564
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| Compound Name |
3-[(cyclohexylmethyl)sulfanyl]-5-(pyridin-3-ylamino)-1,2-thiazole-4-carboxamide
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| Structure |
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| Formula |
C16H20N4OS2
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| Molecular Weight |
348.497
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| Canonical SMILES |
NC(=O)c1c(SCC2CCCCC2)nsc1Nc1cccnc1
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| InChI |
InChI=1S/C16H20N4OS2/c17-14(21)13-15(19-12-7-4-8-18-9-12)23-20-16(13)22-10-11-5-2-1-3-6-11/h4,7-9,11,19H,1-3,5-6,10H2,(H2,17,21)
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| InChIKey |
NMUIYMCYQWYFCA-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