General Information of the Compound
| Compound ID |
CP0853347
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| Compound Name |
2-(Hydroxymethyl)-4-((1R)-1-hydroxy-2-{[6-({2-[(1-naphthalenylmethyl)oxy]ethyl}oxy)hexyl]amino}ethyl)phenolAcetate Salt
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| Structure |
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| Formula |
C30H41NO7
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| Molecular Weight |
527.658
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| Canonical SMILES |
CC(=O)O.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O
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| InChI |
InChI=1S/C28H37NO5.C2H4O2/c30-20-25-18-23(12-13-27(25)31)28(32)19-29-14-5-1-2-6-15-33-16-17-34-21-24-10-7-9-22-8-3-4-11-26(22)24;1-2(3)4/h3-4,7-13,18,28-32H,1-2,5-6,14-17,19-21H2;1H3,(H,3,4)/t28-;/m0./s1
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| InChIKey |
APEHTRASELHRSR-JCOPYZAKSA-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