General Information of the Compound
| Compound ID |
CP0413626
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| Compound Name |
5-[(4-chlorophenyl)carbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C15H15ClN2O3S
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| Molecular Weight |
338.816
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| Canonical SMILES |
CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)cc1C
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| InChI |
InChI=1S/C15H15ClN2O3S/c1-3-21-14(19)13-9(2)8-12(22-13)18-15(20)17-11-6-4-10(16)5-7-11/h4-8H,3H2,1-2H3,(H2,17,18,20)
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| InChIKey |
RGUGPYBGFLDYNY-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3