General Information of the Compound
| Compound ID |
CP0432458
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| Compound Name |
5-[1-[2-(2-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(NCCc1ccccc1Cl)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C19H19ClN2O3/c20-15-4-2-1-3-12(15)9-10-21-16(11-23)13-5-7-17(24)19-14(13)6-8-18(25)22-19/h1-8,16,21,23-24H,9-11H2,(H,22,25)
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| InChIKey |
XHJFMDDSIWQWBB-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