General Information of the Compound
| Compound ID |
CP0944327
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| Compound Name |
8-hydroxy-5-(1-hydroxy-2-(4-m-tolylbutan-2-ylamino)ethyl)quinolin-2(1H)-one hydrochloride
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| Formula |
C22H27ClN2O3
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| Molecular Weight |
402.922
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| Canonical SMILES |
Cc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1.Cl
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| InChI |
InChI=1S/C22H26N2O3.ClH/c1-14-4-3-5-16(12-14)7-6-15(2)23-13-20(26)17-8-10-19(25)22-18(17)9-11-21(27)24-22;/h3-5,8-12,15,20,23,25-26H,6-7,13H2,1-2H3,(H,24,27);1H
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| InChIKey |
MLQSYBUOOQQRRI-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