General Information of the Compound
| Compound ID |
CP0558685
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| Compound Name |
N-[2,6-dimethyl-4-(3-methyl-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 |
C22H30N2OS
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| Molecular Weight |
370.562
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| Canonical SMILES |
Cc1csc2CCN(Cc12)c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C22H30N2OS/c1-14-9-17(24-8-7-19-18(12-24)16(3)13-26-19)10-15(2)21(14)23-20(25)11-22(4,5)6/h9-10,13H,7-8,11-12H2,1-6H3,(H,23,25)
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| InChIKey |
BGRQWBXAFYAUPW-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