General Information of the Compound
| Compound ID |
CP0502050
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| Compound Name |
3-{[1-(4-chlorophenyl)-2-methylpropyl]sulfanyl}-5-[(methylcarbamoyl)amino]-1,2-thiazole-4-carboxamide
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| Structure |
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| Formula |
C16H19ClN4O2S2
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| Molecular Weight |
398.941
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| Canonical SMILES |
CNC(=O)Nc1snc(SC(C(C)C)c2ccc(Cl)cc2)c1C(N)=O
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| InChI |
InChI=1S/C16H19ClN4O2S2/c1-8(2)12(9-4-6-10(17)7-5-9)24-15-11(13(18)22)14(25-21-15)20-16(23)19-3/h4-8,12H,1-3H3,(H2,18,22)(H2,19,20,23)
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| InChIKey |
VKPWSFHSZDMYGW-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