General Information of the Compound
| Compound ID |
CP0391709
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| Compound Name |
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
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| Structure |
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| Formula |
C22H25NO6
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| Molecular Weight |
399.443
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| Canonical SMILES |
COc1cc(O)c(C(CC(=O)N2CCCC2)c2ccc3OCOc3c2)c(OC)c1
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| InChI |
InChI=1S/C22H25NO6/c1-26-15-10-17(24)22(20(11-15)27-2)16(12-21(25)23-7-3-4-8-23)14-5-6-18-19(9-14)29-13-28-18/h5-6,9-11,16,24H,3-4,7-8,12-13H2,1-2H3
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| InChIKey |
WGQXFGMKJAECEF-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