General Information of the Compound
| Compound ID |
CP0479007
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| Compound Name |
8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-4,4-diphenylbutan-2-yl)amino]ethyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C28H30N2O3
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| Molecular Weight |
442.559
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| Canonical SMILES |
CC(C)(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C28H30N2O3/c1-28(2,17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20)29-18-25(32)21-13-15-24(31)27-22(21)14-16-26(33)30-27/h3-16,23,25,29,31-32H,17-18H2,1-2H3,(H,30,33)/t25-/m0/s1
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| InChIKey |
DEYRCBQMUUNCSY-VWLOTQADSA-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