General Information of the Compound
| Compound ID |
CP0435689
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| Compound Name |
8-hydroxy-5-[1-hydroxy-2-[3-(2-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C20H22N2O4
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| Molecular Weight |
354.406
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| Canonical SMILES |
OC(CNCCCc1ccccc1O)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C20H22N2O4/c23-16-6-2-1-4-13(16)5-3-11-21-12-18(25)14-7-9-17(24)20-15(14)8-10-19(26)22-20/h1-2,4,6-10,18,21,23-25H,3,5,11-12H2,(H,22,26)
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| InChIKey |
CNMYHJHYKKZBAK-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