General Information of the Compound
| Compound ID |
CP0486212
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| Compound Name |
2-(hydroxymethyl)-4-[1-hydroxy-2-(11-phenylundecylamino)ethyl]phenol
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| Structure |
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| Formula |
C26H39NO3
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| Molecular Weight |
413.602
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| Canonical SMILES |
OCc1cc(ccc1O)C(O)CNCCCCCCCCCCCc1ccccc1
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| InChI |
InChI=1S/C26H39NO3/c28-21-24-19-23(16-17-25(24)29)26(30)20-27-18-12-7-5-3-1-2-4-6-9-13-22-14-10-8-11-15-22/h8,10-11,14-17,19,26-30H,1-7,9,12-13,18,20-21H2
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| InChIKey |
BTXKYSQDHVLOQY-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
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor