General Information of the Compound
Compound ID
CP0126566
Compound Name
(4-nonylphenyl)boranediol
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Synonyms
(4-nonylphenyl)boranediol
(4-nonylphenyl)boronic Acid
1-Borono-4-(non-1-yl)benzene
256383-45-6
4-(Non-1-yl)benzeneboronic acid
4-(n-Nonyl)benzeneboronic Acid
4-N-NONYLBENZENEBORONIC ACID
4-N-Nonylphenylboronic acid
4-N-Nonylphenylboronicacid
4-Nonylphenylboronic acid
4-nonylbenzene boronic acid
4-nonylphenylboronic acid
AC1NEAO1
B-(4-Nonylphenyl)boronic acid
BDBM26134
Boronic acid,B-(4-nonylphenyl)-
CHEMBL485946
CN-219
CTK8B1318
DTXSID10404611
MolPort-000-931-545
OR7244
SCHEMBL3405525
VONVJOGSLHAKOX-UHFFFAOYSA-N
ZX-AT001529
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Structure
Formula
C15H25BO2
Molecular Weight
248.175
Canonical SMILES
CCCCCCCCCc1ccc(cc1)B(O)O
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InChI
InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
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InChIKey
VONVJOGSLHAKOX-UHFFFAOYSA-N
CAS
256383-45-6
Physicochemical Property
logP
2.6595
Rotatable Bonds
9
Heavy Atom Count
18
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 4589192
SID: 57578829
ChEMBL ID
CHEMBL485946
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: PT01303, Endothelial lipase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000749 HUVEC-C Homo sapiens (Human)  1
1
IC50 = 100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1000 nM
Protein ID: PT02150, Lipoprotein lipase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 42000 nM
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)  1
1
IC50 = 9100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-nonylphenylboronic acid )
Drug Name 4-nonylphenylboronic acid