General Information of the Compound
Compound ID
CP0398097
Compound Name
N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide
    Show/Hide
Structure
Formula
C24H23N5O2
Molecular Weight
413.481
Canonical SMILES
CCCc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccc(OC)cc1
    Show/Hide
InChI
InChI=1S/C24H23N5O2/c1-3-6-17-9-11-18(12-10-17)24(30)25-22-8-5-4-7-21(22)23-26-28-29(27-23)19-13-15-20(31-2)16-14-19/h4-5,7-16H,3,6H2,1-2H3,(H,25,30)
    Show/Hide
InChIKey
UZAOMABSLCWJBI-UHFFFAOYSA-N
Physicochemical Property
logP
4.5427
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
81.93
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 118737182
ChEMBL ID
CHEMBL3426402
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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  1
1
IC50 = 79.4 nM
   TI
   LI
   LO
   TS