General Information of the Compound
| Compound ID |
CP0439716
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| Compound Name |
3-(3,3-Diethylthioureido)thiophene-2-carboxylic Acid
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| Structure |
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| Formula |
C10H14N2O3S
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| Molecular Weight |
242.3
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| Canonical SMILES |
CCN(CC)C(=O)Nc1ccsc1C(O)=O
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| InChI |
InChI=1S/C10H14N2O3S/c1-3-12(4-2)10(15)11-7-5-6-16-8(7)9(13)14/h5-6H,3-4H2,1-2H3,(H,11,15)(H,13,14)
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| InChIKey |
PTXBUMPCMGKEAI-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