General Information of the Compound
| Compound ID |
CP0418185
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| Compound Name |
2-[(5-Cyano-1,3-benzothiazol-2-yl)thio]-2-methylpropanoic Acid
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| Structure |
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| Formula |
C12H10N2O2S2
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| Molecular Weight |
278.358
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| Canonical SMILES |
CC(C)(Sc1nc2cc(ccc2s1)C#N)C(O)=O
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| InChI |
InChI=1S/C12H10N2O2S2/c1-12(2,10(15)16)18-11-14-8-5-7(6-13)3-4-9(8)17-11/h3-5H,1-2H3,(H,15,16)
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| InChIKey |
IEMWJRJDDDKIJP-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