General Information of the Compound
| Compound ID |
CP0439509
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| Compound Name |
(+/-)-1-((1,1-Dimethyl-3-[4-(methyloxy)phenyl]propyl)amino)-3-(phenyloxy)-2-propanol
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| Structure |
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| Formula |
C21H29NO3
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| Molecular Weight |
343.467
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| Canonical SMILES |
COc1ccc(CCC(C)(C)NCC(O)COc2ccccc2)cc1
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| InChI |
InChI=1S/C21H29NO3/c1-21(2,14-13-17-9-11-19(24-3)12-10-17)22-15-18(23)16-25-20-7-5-4-6-8-20/h4-12,18,22-23H,13-16H2,1-3H3
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| InChIKey |
JPEZJLKOTXXNHT-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