General Information of the Compound
| Compound ID |
CP0331536
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| Compound Name |
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C24H26F3NO6
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| Molecular Weight |
481.467
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| Canonical SMILES |
COc1cc(O)c(C(CC(=O)N2CCCC(C2)C(F)(F)F)c2ccc3OCOc3c2)c(OC)c1
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| InChI |
InChI=1S/C24H26F3NO6/c1-31-16-9-18(29)23(21(10-16)32-2)17(14-5-6-19-20(8-14)34-13-33-19)11-22(30)28-7-3-4-15(12-28)24(25,26)27/h5-6,8-10,15,17,29H,3-4,7,11-13H2,1-2H3
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| InChIKey |
HQTZZWHUSIYTDB-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