General Information of the Compound
| Compound ID |
CP0396554
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| Compound Name |
N-[4-(2-cyano-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
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| Structure |
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| Formula |
C22H27N3OS
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| Molecular Weight |
381.545
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| Canonical SMILES |
Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCc2sc(cc2C1)C#N
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| InChI |
InChI=1S/C22H27N3OS/c1-14-8-17(9-15(2)21(14)24-20(26)11-22(3,4)5)25-7-6-19-16(13-25)10-18(12-23)27-19/h8-10H,6-7,11,13H2,1-5H3,(H,24,26)
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| InChIKey |
WDMKOLGZNPFXNA-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