General Information of the Compound
| Compound ID |
CP0472502
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| Compound Name |
2-[(2-hydroxy-2-methylpropanoyl)amino]-5-(4-methoxyphenyl)sulfonylthiophene-3-carboxamide
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| Structure |
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| Formula |
C16H18N2O6S2
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| Molecular Weight |
398.462
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)c1cc(C(N)=O)c(NC(=O)C(C)(C)O)s1
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| InChI |
InChI=1S/C16H18N2O6S2/c1-16(2,21)15(20)18-14-11(13(17)19)8-12(25-14)26(22,23)10-6-4-9(24-3)5-7-10/h4-8,21H,1-3H3,(H2,17,19)(H,18,20)
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| InChIKey |
DNKIVLHKDMKSIA-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