General Information of the Compound
| Compound ID |
CP0387832
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| Compound Name |
2-(3-Cyclohexyl-3-methylthioureido)benzo[b]thiophene-3-carboxylic Acid
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| Structure |
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| Formula |
C17H20N2O2S2
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| Molecular Weight |
348.493
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| Canonical SMILES |
CN(C1CCCCC1)C(=S)Nc1sc2ccccc2c1C(O)=O
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| InChI |
InChI=1S/C17H20N2O2S2/c1-19(11-7-3-2-4-8-11)17(22)18-15-14(16(20)21)12-9-5-6-10-13(12)23-15/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,22)(H,20,21)
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| InChIKey |
HPSBWWKXGLHHGT-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