General Information of the Compound
Compound ID
CP0562704
Compound Name
1-[(4-phenylphenyl)methyl]benzotriazole
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Structure
Formula
C19H15N3
Molecular Weight
285.35
Canonical SMILES
C(c1ccc(cc1)-c1ccccc1)n1nnc2ccccc12
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InChI
InChI=1S/C19H15N3/c1-2-6-16(7-3-1)17-12-10-15(11-13-17)14-22-19-9-5-4-8-18(19)20-21-22/h1-13H,14H2
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InChIKey
FAFBDZAJPWABST-UHFFFAOYSA-N
Physicochemical Property
logP
4.1466
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 7504549
SID: 15767792
ChEMBL ID
CHEMBL4464043
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000064 Chem-1 Rattus norvegicus (Rat)  1
1
EC50 = 155 nM
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