General Information of the Compound
| Compound ID |
CP0874619
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| Compound Name |
2-(Hydroxymethyl)-4-((1R)-1-hydroxy-2-{[6-({2-[(phenylmethyl)-oxy]ethyl}oxy)hexyl]amino}ethyl)phenol
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| Structure |
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| Formula |
C26H39NO7
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| Molecular Weight |
477.598
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| Canonical SMILES |
CC(=O)O.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O
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| InChI |
InChI=1S/C24H35NO5.C2H4O2/c26-18-22-16-21(10-11-23(22)27)24(28)17-25-12-6-1-2-7-13-29-14-15-30-19-20-8-4-3-5-9-20;1-2(3)4/h3-5,8-11,16,24-28H,1-2,6-7,12-15,17-19H2;1H3,(H,3,4)/t24-;/m0./s1
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| InChIKey |
IJTVGIOQMJOXGO-JIDHJSLPSA-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
Protein ID: PT01493, Beta-3 adrenergic receptor