General Information of the Compound
| Compound ID |
CP0547915
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| Compound Name |
2-acetamido-N-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[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 |
CC(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C18H20N2O2S/c1-12(21)19-18-16(14-10-6-3-7-11-15(14)23-18)17(22)20-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,19,21)(H,20,22)
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| InChIKey |
XNNGNUAXDMGQCX-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