General Information of the Compound
| Compound ID |
CP0570430
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| Compound Name |
ethyl 2-[(4-chlorophenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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| Structure |
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| Formula |
C17H17ClN2O2S2
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| Molecular Weight |
380.922
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| Canonical SMILES |
CCOC(=O)c1c2CCCc2sc1NC(=S)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H17ClN2O2S2/c1-2-22-16(21)14-12-4-3-5-13(12)24-15(14)20-17(23)19-11-8-6-10(18)7-9-11/h6-9H,2-5H2,1H3,(H2,19,20,23)
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| InChIKey |
YQVSMUSWGKKVEU-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