General Information of the Compound
Compound ID
CP0433014
Compound Name
diphenylboranyloxy(diphenyl)borane
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Synonyms
diphenylborinic anhydride
diphenylboronic anhydride
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Structure
Formula
C24H20B2O
Molecular Weight
346.047
Canonical SMILES
O(B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H20B2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
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InChIKey
SNQFEECGHGUHBK-UHFFFAOYSA-N
Physicochemical Property
logP
2.6148
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
9.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
27

"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: 596810
SID: 16390811
ChEMBL ID
CHEMBL2386188
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: PT05686, Transient receptor potential cation channel subfamily V member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 17700 nM
   TI
   LI
   LO
   TS
2
IC50 = 19200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( diphenylboronic anhydride )
Drug Name diphenylboronic anhydride
Target(s)
Transient receptor potential cation channel V3 (TRPV3)
Activator
Transient receptor potential cation channel V2 (TRPV2)
Activator
Transient receptor potential cation channel V1 (TRPV1)
Activator