General Information of the Compound
| Compound ID |
CP0407649
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| Compound Name |
2-(3-Cyclohexyl-3-methylthioureido)thiophene-3-carboxylic Acid
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| Structure |
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| Formula |
C13H18N2O2S2
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| Molecular Weight |
298.433
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| Canonical SMILES |
CN(C1CCCCC1)C(=S)Nc1sccc1C(O)=O
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| InChI |
InChI=1S/C13H18N2O2S2/c1-15(9-5-3-2-4-6-9)13(18)14-11-10(12(16)17)7-8-19-11/h7-9H,2-6H2,1H3,(H,14,18)(H,16,17)
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| InChIKey |
MNLJTQOGIGSVKR-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1