General Information of the Compound
| Compound ID |
CP0081321
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| Compound Name |
1-(2,5-dimethoxy-4-(3-phenylpropyl)phenyl)propan-2-amine
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| Structure |
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| Formula |
C20H27NO2
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| Molecular Weight |
313.441
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| Canonical SMILES |
COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1
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| InChI |
InChI=1S/C20H27NO2/c1-15(21)12-18-14-19(22-2)17(13-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3
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| InChIKey |
XKCYCNKOOGOHIQ-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