General Information of the Compound
| Compound ID |
CP0401119
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| Compound Name |
4-(3-(3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)thioureido)benzoic acid
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| Structure |
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| Formula |
C19H20N2O4S2
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| Molecular Weight |
404.513
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| Canonical SMILES |
CCOC(=O)c1c2CCCCc2sc1NC(=S)Nc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C19H20N2O4S2/c1-2-25-18(24)15-13-5-3-4-6-14(13)27-16(15)21-19(26)20-12-9-7-11(8-10-12)17(22)23/h7-10H,2-6H2,1H3,(H,22,23)(H2,20,21,26)
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| InChIKey |
WQZZALMJKSNTBT-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