General Information of the Compound
Compound ID
CP0542890
Compound Name
N-[2-(2-phenyltetrazol-5-yl)phenyl]acetamide
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Structure
Formula
C15H13N5O
Molecular Weight
279.303
Canonical SMILES
CC(=O)Nc1ccccc1-c1nnn(n1)-c1ccccc1
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InChI
InChI=1S/C15H13N5O/c1-11(21)16-14-10-6-5-9-13(14)15-17-19-20(18-15)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,21)
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InChIKey
RLYPVJCLKIRFPS-UHFFFAOYSA-N
Physicochemical Property
logP
2.2877
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
72.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 145964072
ChEMBL ID
CHEMBL4210290
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 = 6910 nM
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