General Information of the Compound
| Compound ID |
CP0297089
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| Compound Name |
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(methylcarbamoyl)amino]-1,2-thiazole-4-carboxamide
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| Structure |
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| Formula |
C13H13ClN4O2S2
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| Molecular Weight |
356.86
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| Canonical SMILES |
CNC(=O)Nc1snc(SCc2ccc(Cl)cc2)c1C(N)=O
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| InChI |
InChI=1S/C13H13ClN4O2S2/c1-16-13(20)17-11-9(10(15)19)12(18-22-11)21-6-7-2-4-8(14)5-3-7/h2-5H,6H2,1H3,(H2,15,19)(H2,16,17,20)
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| InChIKey |
OJNYWHSZTYNGPE-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