General Information of the Compound
Compound ID
CP0411592
Compound Name
N-(1H-indol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
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Structure
Formula
C18H13N3O2
Molecular Weight
303.321
Canonical SMILES
O=C(Nc1ccc2[nH]ccc2c1)c1c[nH]c2ccccc2c1=O
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InChI
InChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-16(13)20-10-14(17)18(23)21-12-5-6-15-11(9-12)7-8-19-15/h1-10,19H,(H,20,22)(H,21,23)
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InChIKey
PIXCZJVPKHUCFR-UHFFFAOYSA-N
Physicochemical Property
logP
3.2617
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
77.75
Hydrogen Bond Donor Count
3
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: 66676213
ChEMBL ID
CHEMBL3356634
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: PT02042, Cystic fibrosis transmembrane conductance regulator
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 6100 nM
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