General Information of the Compound
| Compound ID |
CP0391706
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| Compound Name |
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylphenyl)propan-1-one
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| Structure |
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| Formula |
C25H33NO4
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| Molecular Weight |
411.542
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| Canonical SMILES |
COc1cc(O)c(C(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccc(C)cc2)c(OC)c1
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| InChI |
InChI=1S/C25H33NO4/c1-16-6-8-19(9-7-16)21(13-24(28)26-14-17(2)10-18(3)15-26)25-22(27)11-20(29-4)12-23(25)30-5/h6-9,11-12,17-18,21,27H,10,13-15H2,1-5H3/t17-,18+,21?
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| InChIKey |
ROYUVWSZRPLDIA-HTZLVSCSSA-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