General Information of the Compound
| Compound ID |
CP0519937
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| Compound Name |
N-(2-methylphenyl)-2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C18H20N2O2S
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| Molecular Weight |
328.437
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| Canonical SMILES |
CCC(=O)Nc1sc2CCCc2c1C(=O)Nc1ccccc1C
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| InChI |
InChI=1S/C18H20N2O2S/c1-3-15(21)20-18-16(12-8-6-10-14(12)23-18)17(22)19-13-9-5-4-7-11(13)2/h4-5,7,9H,3,6,8,10H2,1-2H3,(H,19,22)(H,20,21)
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| InChIKey |
PVXOKBVXKIEVAD-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