General Information of the Compound
| Compound ID |
CP0958102
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| Compound Name |
8-hydroxy-5-(1-hydroxy-2-(3-(3,4,5-trimethoxyphenyl)propylamino)ethyl)quinolin-2(1H)-one hydrochloride
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| Formula |
C23H29ClN2O6
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| Molecular Weight |
464.946
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| Canonical SMILES |
COc1cc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC.Cl
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| InChI |
InChI=1S/C23H28N2O6.ClH/c1-29-19-11-14(12-20(30-2)23(19)31-3)5-4-10-24-13-18(27)15-6-8-17(26)22-16(15)7-9-21(28)25-22;/h6-9,11-12,18,24,26-27H,4-5,10,13H2,1-3H3,(H,25,28);1H
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| InChIKey |
YPKZOIPHSHYWHJ-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