General Information of the Compound
| Compound ID |
CP0547916
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| Compound Name |
N-phenyl-2-(propanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C19H22N2O2S
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| Molecular Weight |
342.464
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| Canonical SMILES |
CCC(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C19H22N2O2S/c1-2-16(22)21-19-17(14-11-7-4-8-12-15(14)24-19)18(23)20-13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,20,23)(H,21,22)
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| InChIKey |
REAVEXFBHGHERP-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