General Information of the Compound
| Compound ID |
CP0508401
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| Compound Name |
8-hydroxy-5-[2-hydroxy-1-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C21H24N2O3
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| Molecular Weight |
352.434
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| Canonical SMILES |
OCC(NCCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C21H24N2O3/c24-14-18(22-13-5-4-8-15-6-2-1-3-7-15)16-9-11-19(25)21-17(16)10-12-20(26)23-21/h1-3,6-7,9-12,18,22,24-25H,4-5,8,13-14H2,(H,23,26)
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| InChIKey |
NDVLICYVHZFVDY-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