General Information of the Compound
| Compound ID |
CP0424565
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| Compound Name |
6-tert-butyl-2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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| Structure |
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| Formula |
C18H28N2O2S
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| Molecular Weight |
336.501
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| Canonical SMILES |
CC(C)(C)C1CCc2c(C1)sc(NC(=O)C(C)(C)C)c2C(N)=O
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| InChI |
InChI=1S/C18H28N2O2S/c1-17(2,3)10-7-8-11-12(9-10)23-15(13(11)14(19)21)20-16(22)18(4,5)6/h10H,7-9H2,1-6H3,(H2,19,21)(H,20,22)
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| InChIKey |
QJDASIZKRQHFFS-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
Protein ID: PT07751, Anoctamin-2