General Information of the Compound
| Compound ID |
CP0424564
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| Compound Name |
2-(2,2-dimethylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C15H22N2O2S
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| Molecular Weight |
294.42
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| Canonical SMILES |
CC(C)(C)C(=O)Nc1sc2CCCCCc2c1C(N)=O
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| InChI |
InChI=1S/C15H22N2O2S/c1-15(2,3)14(19)17-13-11(12(16)18)9-7-5-4-6-8-10(9)20-13/h4-8H2,1-3H3,(H2,16,18)(H,17,19)
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| InChIKey |
PIJDIDKYGUHLOR-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
Protein ID: PT06978, Anoctamin-1
Protein ID: PT06716, Anoctamin-1