General Information of the Compound
| Compound ID |
CP0459150
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| Compound Name |
5-[1-[2-(3-chlorophenyl)ethylamino]-2-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
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| Structure |
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| Formula |
C19H19ClN2O3
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| Molecular Weight |
358.825
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| Canonical SMILES |
OCC(NCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C19H19ClN2O3/c20-13-3-1-2-12(10-13)8-9-21-16(11-23)14-4-6-17(24)19-15(14)5-7-18(25)22-19/h1-7,10,16,21,23-24H,8-9,11H2,(H,22,25)
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| InChIKey |
XTKAONDSNFRIOD-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