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443129-35-9 molecular structure
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2-aminoethyl icosa-5,8,11,14-tetraenoate

ChemBase ID: 130157
Molecular Formular: C22H37NO2
Molecular Mass: 347.53468
Monoisotopic Mass: 347.28242943
SMILES and InChIs

SMILES:
O=C(OCCN)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC
Canonical SMILES:
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCCN
InChI:
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3
InChIKey:
DLHLOYYQQGSXCC-UHFFFAOYSA-N

Cite this record

CBID:130157 http://www.chembase.cn/molecule-130157.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminoethyl icosa-5,8,11,14-tetraenoate
IUPAC Traditional name
2-aminoethyl icosa-5,8,11,14-tetraenoate
Synonyms
O-Arachidonoyl ethanolamine
Virodhamine
CAS Number
443129-35-9
PubChem SID
162224441
PubChem CID
5712057
71308298
CHEMBL
187349
Chemspider ID
4650158
Wikipedia Title
Virodhamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.983023  LogD (pH = 7.4) 4.129463 
Log P 5.936081  Molar Refractivity 112.6729 cm3
Polarizability 42.625507 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds 17  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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