General Information of the Compound
Compound ID
CP0055186
Compound Name
(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enamide
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Synonyms
(9Z)- N-(2-(3,4-Dihydroxyphenyl)ethyl)-9-octadecenamide
(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enamide
105955-11-1
AC1NQZHH
BML3-G02
CHEBI:31883
CHEMBL250711
GTPL5552
HMS3263C18
HMS3648E03
Lopac-O-2139
Lopac0_001058
MLS002153451
MolPort-003-959-070
N-(9Z-octadecanoyl)-dopamine
N-Oleoyl dopamine
N-Oleoyldopamine
N-[2-(3,4-dihydroxyphenyl)ethyl]-9Z-octadecenamide
N-oleoyl-dopamine
OLDA
OLEOYL DOPAMINE
QQBPLXNESPTPNU-KTKRTIGZSA-N
SCHEMBL93916
SR-01000076132
T87P7X9XSZ
UNII-T87P7X9XSZ
cid_5282106
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Structure
Formula
C26H43NO3
Molecular Weight
417.634
Canonical SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
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InChI
InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
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InChIKey
QQBPLXNESPTPNU-KTKRTIGZSA-N
Physicochemical Property
logP
6.794
Rotatable Bonds
18
Heavy Atom Count
30
Polar Areas
69.56
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 5282106
SID: 15378123
ChEMBL ID
CHEMBL250711
DrugBank ID
DB17036
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 16360.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 4610.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 3689.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-oleoyl-dopamine )
Drug Name N-oleoyl-dopamine
Target(s)
Bacterial Lethal factor (Bact lef)
 Target Info 
Inhibitor