General Information of the Compound
| Compound ID |
CP0521058
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| Compound Name |
N-[4-[4-(3-fluorophenyl)piperidin-1-yl]-2,6-dimethylphenyl]-3,3-dimethylbutanamide
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| Structure |
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| Formula |
C25H33FN2O
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| Molecular Weight |
396.55
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| Canonical SMILES |
Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCC(CC1)c1cccc(F)c1
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| InChI |
InChI=1S/C25H33FN2O/c1-17-13-22(14-18(2)24(17)27-23(29)16-25(3,4)5)28-11-9-19(10-12-28)20-7-6-8-21(26)15-20/h6-8,13-15,19H,9-12,16H2,1-5H3,(H,27,29)
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| InChIKey |
CYHHRGWSNJYQKM-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