General Information of the Compound
Compound ID
CP0423406
Compound Name
N-(1-methylindol-5-yl)-2-[5-(4-methylphenoxy)pyrazin-2-yl]-2-oxoacetamide
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Formula
C22H18N4O3
Molecular Weight
386.411
Canonical SMILES
Cc1ccc(Oc2cnc(cn2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cc1
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InChI
InChI=1S/C22H18N4O3/c1-14-3-6-17(7-4-14)29-20-13-23-18(12-24-20)21(27)22(28)25-16-5-8-19-15(11-16)9-10-26(19)2/h3-13H,1-2H3,(H,25,28)
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InChIKey
ZNINIWMZUFSKMQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.89042
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
86.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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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ChEMBL ID
CHEMBL4877754
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
EC50 = 650 nM
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