General Information of the Compound
Compound ID
CP0511173
Compound Name
N-(1-methylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
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Structure
Formula
C19H15N3O2
Molecular Weight
317.348
Canonical SMILES
Cn1ccc2ccc(NC(=O)c3c[nH]c4ccccc4c3=O)cc12
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InChI
InChI=1S/C19H15N3O2/c1-22-9-8-12-6-7-13(10-17(12)22)21-19(24)15-11-20-16-5-3-2-4-14(16)18(15)23/h2-11H,1H3,(H,20,23)(H,21,24)
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InChIKey
SFDPACPAIWSSGX-UHFFFAOYSA-N
Physicochemical Property
logP
3.2721
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
66.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 66676209
ChEMBL ID
CHEMBL3356636
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 = 6400 nM
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