General Information of the Compound
Compound ID |
CP0568711
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Compound Name |
ethyl 2-[(4-methylphenyl)carbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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Structure |
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Formula |
C18H20N2O3S
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Molecular Weight |
344.436
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Canonical SMILES |
CCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2CCCc12
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InChI |
InChI=1S/C18H20N2O3S/c1-3-23-17(21)15-13-5-4-6-14(13)24-16(15)20-18(22)19-12-9-7-11(2)8-10-12/h7-10H,3-6H2,1-2H3,(H2,19,20,22)
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InChIKey |
SFGHSVWYEBSQBS-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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PubChem ID |
Map of Molecular Bioactivity Related to the Compound
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