General Information of the Compound
| Compound ID |
CP0534398
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| Compound Name |
8-hydroxy-5-[1-hydroxy-2-[3-(4-phenylphenyl)propylamino]ethyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
OC(CNCCCc1ccc(cc1)-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C26H26N2O3/c29-23-14-12-21(22-13-15-25(31)28-26(22)23)24(30)17-27-16-4-5-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-15,24,27,29-30H,4-5,16-17H2,(H,28,31)
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| InChIKey |
OLKAFTZNOGTZBI-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