General Information of the Compound
Compound ID
CP0110414
Compound Name
diphenylborinic acid
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Structure
Formula
C12H11BO
Molecular Weight
182.031
Canonical SMILES
OB(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C12H11BO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
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InChIKey
VIGVRXYWWFPORY-UHFFFAOYSA-N
CAS
2622-89-1
Physicochemical Property
logP
0.7846
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
14

"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: 17498
SID: 16410888
ChEMBL ID
CHEMBL81556
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 = 19100 nM
   TI
   LI
   LO
   TS
2
IC50 = 31500 nM
   TI
   LI
   LO
   TS