General Information of the Compound
Compound ID
CP0529202
Compound Name
N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]naphthalene-1-carboxamide
    Show/Hide
Structure
Formula
C25H19N5O2
Molecular Weight
421.46
Canonical SMILES
COc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1cccc2ccccc12
    Show/Hide
InChI
InChI=1S/C25H19N5O2/c1-32-19-15-13-18(14-16-19)30-28-24(27-29-30)22-10-4-5-12-23(22)26-25(31)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3,(H,26,31)
    Show/Hide
InChIKey
YQZIGBKGFMMMPU-UHFFFAOYSA-N
Physicochemical Property
logP
4.7434
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
81.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 145978662
ChEMBL ID
CHEMBL4202490
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 = 267 nM
   TI
   LI
   LO
   TS