General Information of the Compound
| Compound ID |
CP0431278
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| Compound Name |
1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)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)N2CCCCCC2)c2ccc3OCOc3c2)c(OC)c1
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| InChI |
InChI=1S/C24H29NO6/c1-28-17-12-19(26)24(22(13-17)29-2)18(14-23(27)25-9-5-3-4-6-10-25)16-7-8-20-21(11-16)31-15-30-20/h7-8,11-13,18,26H,3-6,9-10,14-15H2,1-2H3
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| InChIKey |
DXYFTQLOPDFMGK-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