General Information of the Compound
| Compound ID |
CP0547919
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| Compound Name |
2-acetamido-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C17H18N2O2S
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| Molecular Weight |
314.41
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| Canonical SMILES |
CC(=O)Nc1sc2CCCc2c1C(=O)Nc1ccccc1C
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| InChI |
InChI=1S/C17H18N2O2S/c1-10-6-3-4-8-13(10)19-16(21)15-12-7-5-9-14(12)22-17(15)18-11(2)20/h3-4,6,8H,5,7,9H2,1-2H3,(H,18,20)(H,19,21)
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| InChIKey |
MDBPMMYRLOSCHP-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