General Information of the Compound
Compound ID
CP0516456
Compound Name
[4-[(4-phenylphenyl)carbamoyl]phenyl]boronic acid
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Structure
Formula
C19H16BNO3
Molecular Weight
317.153
Canonical SMILES
OB(O)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C19H16BNO3/c22-19(16-6-10-17(11-7-16)20(23)24)21-18-12-8-15(9-13-18)14-4-2-1-3-5-14/h1-13,23-24H,(H,21,22)
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InChIKey
GGPPJOOOPMTLOV-UHFFFAOYSA-N
Physicochemical Property
logP
2.2857
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
69.56
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 127025660
ChEMBL ID
CHEMBL3771141
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 3970 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS