General Information of the Compound
| Compound ID |
CP0482973
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| Compound Name |
4-[(1R)-1-hydroxy-2-[6-[2-[(4-hydroxyphenyl)methoxy]ethoxy]hexylamino]ethyl]-2-(hydroxymethyl)phenol
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| Structure |
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| Formula |
C24H35NO6
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| Molecular Weight |
433.545
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| Canonical SMILES |
OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1ccc(O)cc1
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| InChI |
InChI=1S/C24H35NO6/c26-17-21-15-20(7-10-23(21)28)24(29)16-25-11-3-1-2-4-12-30-13-14-31-18-19-5-8-22(27)9-6-19/h5-10,15,24-29H,1-4,11-14,16-18H2/t24-/m0/s1
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| InChIKey |
OQQNKEIGGYNMRM-DEOSSOPVSA-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