General Information of the Compound
| Compound ID |
CP0477329
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| Compound Name |
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-1-one
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| Structure |
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| Formula |
C24H29NO6
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| Molecular Weight |
427.497
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| Canonical SMILES |
COc1cc(O)c(C(CC(=O)N2CCCC(C)C2)c2ccc3OCOc3c2)c(OC)c1
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| InChI |
InChI=1S/C24H29NO6/c1-15-5-4-8-25(13-15)23(27)12-18(16-6-7-20-21(9-16)31-14-30-20)24-19(26)10-17(28-2)11-22(24)29-3/h6-7,9-11,15,18,26H,4-5,8,12-14H2,1-3H3
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| InChIKey |
ISXDTMVXKAPUDE-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