General Information of the Compound
| Compound ID |
CP0543720
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| Compound Name |
4-[(2R)-2-hydroxy-3-[2-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethylamino]propoxy]benzene-1,2-diol
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| Structure |
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| Formula |
C27H33NO6
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| Molecular Weight |
467.562
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| Canonical SMILES |
COc1cc(CCNC[C@@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
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| InChI |
InChI=1S/C27H33NO6/c1-32-27-16-21(9-12-26(27)33-15-5-8-20-6-3-2-4-7-20)13-14-28-18-22(29)19-34-23-10-11-24(30)25(31)17-23/h2-4,6-7,9-12,16-17,22,28-31H,5,8,13-15,18-19H2,1H3/t22-/m1/s1
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| InChIKey |
ZIKVQVRMNFIOLA-JOCHJYFZSA-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: PT06365, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor