General Information of the Compound
| Compound ID |
CP0957369
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| Compound Name |
8-hydroxy-5-(1-hydroxy-2-(3-(3-(trifluoromethyl)phenyl)propylamino)ethyl)quinolin-2(1H)-one hydrochloride
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| Formula |
C21H22ClF3N2O3
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| Molecular Weight |
442.865
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| Canonical SMILES |
Cl.O=c1ccc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2[nH]1
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| InChI |
InChI=1S/C21H21F3N2O3.ClH/c22-21(23,24)14-5-1-3-13(11-14)4-2-10-25-12-18(28)15-6-8-17(27)20-16(15)7-9-19(29)26-20;/h1,3,5-9,11,18,25,27-28H,2,4,10,12H2,(H,26,29);1H
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| InChIKey |
LHFLQEPXLHAILZ-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