General Information of the Compound
Compound ID
CP0002157
Compound Name
(R)-N-(2,3-dihydro-1H-inden-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
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Structure
Formula
C19H16N2O2
Molecular Weight
304.349
Canonical SMILES
O=C(N[C@@H]1CCc2ccccc12)C(=O)c1c[nH]c2ccccc12
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InChI
InChI=1S/C19H16N2O2/c22-18(15-11-20-16-8-4-3-7-14(15)16)19(23)21-17-10-9-12-5-1-2-6-13(12)17/h1-8,11,17,20H,9-10H2,(H,21,23)/t17-/m1/s1
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InChIKey
HPOOEGNMALNZJV-QGZVFWFLSA-N
Physicochemical Property
logP
3.1543
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 10935596
SID: 15987842
ChEMBL ID
CHEMBL495592
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: PT05269, Gamma-aminobutyric acid receptor subunit alpha-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3100 nM
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