General Information of the Compound
Compound ID
CP0080820
Compound Name
18:00:00
    Show/Hide
Synonyms
C18:0
stearic acid
    Show/Hide
Structure
Formula
C18H36O2
Molecular Weight
284.484
Canonical SMILES
CCCCCCCCCCCCCCCCCC(O)=O
    Show/Hide
InChI
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
    Show/Hide
InChIKey
QIQXTHQIDYTFRH-UHFFFAOYSA-N
CAS
609343-71-7
68937-76-8
134503-33-6
39390-61-9
58392-66-8
8013-28-3
8023-06-1
57-11-4
8037-83-0
8037-40-9
8039-52-9
8039-53-0
8039-54-1
82497-27-6
126539-56-8
30399-84-9
57485-56-0
85404-83-7
8039-51-8
Physicochemical Property
logP
6.3325
Rotatable Bonds
16
Heavy Atom Count
20
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5281
SID: 14824610
ChEMBL ID
CHEMBL46403
DrugBank ID
DB03193
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: PT00910, Peroxisome proliferator-activated receptor alpha
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 40000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1100 nM
Clinical Information about the Compound
Drug 1 ( stearic acid )
Drug Name stearic acid