General Information of the Compound
| Compound ID |
CP0391419
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| Compound Name |
1-(3',4',5'-Trimethoxy-biphenyl-4-ylmethyl)-1,2,3,4-tetrahydro-isoquinoline-6,7-diol
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| Structure |
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| Formula |
C25H27NO5
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| Molecular Weight |
421.493
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
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| InChI |
InChI=1S/C25H27NO5/c1-29-23-12-18(13-24(30-2)25(23)31-3)16-6-4-15(5-7-16)10-20-19-14-22(28)21(27)11-17(19)8-9-26-20/h4-7,11-14,20,26-28H,8-10H2,1-3H3
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| InChIKey |
UFPJRJORSDHDFB-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