General Information of the Compound
| Compound ID |
CP0522578
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| Compound Name |
N-[3-(diethylcarbamoyl)-5-methyl-4H,5H,6H-cyclopenta[b]thiophen-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C18H22N2O2S2
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| Molecular Weight |
362.52
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| Canonical SMILES |
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)Cc12
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| InChI |
InChI=1S/C18H22N2O2S2/c1-4-20(5-2)18(22)15-12-9-11(3)10-14(12)24-17(15)19-16(21)13-7-6-8-23-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,21)
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| InChIKey |
PMKPDYRYHRNWDL-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