General Information of the Compound
Compound ID
CP0224883
Compound Name
8-Hydroxy-5-[(R)-1-hydroxy-2-(4,7-diethylindan-2-ylamino)-ethyl]-1H-quinolin-2-one
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Structure
Formula
C24H28N2O3
Molecular Weight
392.499
Canonical SMILES
CCc1ccc(CC)c2CC(Cc12)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
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InChI
InChI=1S/C24H28N2O3/c1-3-14-5-6-15(4-2)20-12-16(11-19(14)20)25-13-22(28)17-7-9-21(27)24-18(17)8-10-23(29)26-24/h5-10,16,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
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InChIKey
SARQODHPNUVLSS-QFIPXVFZSA-N
Physicochemical Property
logP
3.1489
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
85.35
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
29

"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).

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PubChem ID
CID: 46221604
SID: 96076235
ChEMBL ID
CHEMBL1094487
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 692 nM
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