General Information of the Compound
| Compound ID |
CP0958800
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| Compound Name |
(R)-5-(2-(4-(3-chlorophenyl)-2-methylbutan-2-ylamino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one hydrochloride
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| Formula |
C22H26Cl2N2O3
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| Molecular Weight |
437.367
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| Canonical SMILES |
CC(C)(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12.Cl
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| InChI |
InChI=1S/C22H25ClN2O3.ClH/c1-22(2,11-10-14-4-3-5-15(23)12-14)24-13-19(27)16-6-8-18(26)21-17(16)7-9-20(28)25-21;/h3-9,12,19,24,26-27H,10-11,13H2,1-2H3,(H,25,28);1H/t19-;/m0./s1
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| InChIKey |
KSKPGNJBEBKKRR-FYZYNONXSA-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