General Information of the Compound
| Compound ID |
CP0559564
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| Compound Name |
N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]phenyl]-3,3-dimethylbutanamide
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| Structure |
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| Formula |
C22H27F3N2OS
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| Molecular Weight |
424.532
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| Canonical SMILES |
Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCc2sc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C22H27F3N2OS/c1-13-8-16(9-14(2)20(13)26-19(28)11-21(3,4)5)27-7-6-17-15(12-27)10-18(29-17)22(23,24)25/h8-10H,6-7,11-12H2,1-5H3,(H,26,28)
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| InChIKey |
JVPVSXAVEXJSLY-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