General Information of the Compound
| Compound ID |
CP0486546
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| Compound Name |
3-(1,3-benzodioxol-5-yl)-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide
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| Structure |
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| Formula |
C22H27NO6
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| Molecular Weight |
401.459
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| Canonical SMILES |
CCN(CC)C(=O)CC(c1ccc2OCOc2c1)c1c(O)cc(OC)cc1OC
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| InChI |
InChI=1S/C22H27NO6/c1-5-23(6-2)21(25)12-16(14-7-8-18-19(9-14)29-13-28-18)22-17(24)10-15(26-3)11-20(22)27-4/h7-11,16,24H,5-6,12-13H2,1-4H3
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| InChIKey |
GUOUIGXFEWSFFH-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