General Information of the Compound
| Compound ID |
CP0569268
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| Compound Name |
methyl 2-(naphthalen-1-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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| Structure |
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| Formula |
C20H18N2O2S2
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| Molecular Weight |
382.51
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| Canonical SMILES |
COC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2CCCc12
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| InChI |
InChI=1S/C20H18N2O2S2/c1-24-19(23)17-14-9-5-11-16(14)26-18(17)22-20(25)21-15-10-4-7-12-6-2-3-8-13(12)15/h2-4,6-8,10H,5,9,11H2,1H3,(H2,21,22,25)
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| InChIKey |
ZXFZFKDLZWUXMM-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