General Information of the Compound
Compound ID
CP0509808
Compound Name
N-[(2-methoxyphenyl)methyl]-5-phenyltetrazolo[1,5-a]quinoline-4-carboxamide
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Structure
Formula
C24H19N5O2
Molecular Weight
409.449
Canonical SMILES
COc1ccccc1CNC(=O)c1c(-c2ccccc2)c2ccccc2n2nnnc12
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InChI
InChI=1S/C24H19N5O2/c1-31-20-14-8-5-11-17(20)15-25-24(30)22-21(16-9-3-2-4-10-16)18-12-6-7-13-19(18)29-23(22)26-27-28-29/h2-14H,15H2,1H3,(H,25,30)
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InChIKey
MRBKXGQRRJWHRZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8831
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
81.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 16755280
SID: 26743537
ChEMBL ID
CHEMBL460683
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: PT01410, Substance-P receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2749 nM
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