General Information of the Compound
| Compound ID |
CP0436479
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| Compound Name |
6-(1,1-Dimethyl-propyl)-2-(2-ethyl-butyrylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amide
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| Structure |
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| Formula |
C20H32N2O2S
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| Molecular Weight |
364.555
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| Canonical SMILES |
CCC(CC)C(=O)Nc1sc2CC(CCc2c1C(N)=O)C(C)(C)CC
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| InChI |
InChI=1S/C20H32N2O2S/c1-6-12(7-2)18(24)22-19-16(17(21)23)14-10-9-13(11-15(14)25-19)20(4,5)8-3/h12-13H,6-11H2,1-5H3,(H2,21,23)(H,22,24)
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| InChIKey |
IQFDXGAFSHQPFF-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