General Information of the Compound
| Compound ID |
CP0561201
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| Compound Name |
2-acetamido-N-(2-methylphenyl)-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 |
CC(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1C
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| InChI |
InChI=1S/C19H22N2O2S/c1-12-8-6-7-10-15(12)21-18(23)17-14-9-4-3-5-11-16(14)24-19(17)20-13(2)22/h6-8,10H,3-5,9,11H2,1-2H3,(H,20,22)(H,21,23)
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| InChIKey |
XCMQSXZRFWXPMT-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