General Information of the Compound
| Compound ID |
CP0503974
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| Compound Name |
5-Carbamoyl-2-(3,3-diethylthioureido)-4-methylthiophene-3-carboxylic Acid
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| Structure |
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| Formula |
C12H17N3O3S2
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| Molecular Weight |
315.42
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| Canonical SMILES |
CCN(CC)C(=S)Nc1sc(C(N)=O)c(C)c1C(O)=O
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| InChI |
InChI=1S/C12H17N3O3S2/c1-4-15(5-2)12(19)14-10-7(11(17)18)6(3)8(20-10)9(13)16/h4-5H2,1-3H3,(H2,13,16)(H,14,19)(H,17,18)
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| InChIKey |
QYIUHKAMWFMPDV-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