NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)benzoic acid
|
|
|
IUPAC Traditional name
|
4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)benzoic acid
|
|
|
Synonyms
|
A 803467
|
5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide
|
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid
|
4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
4.5346828
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
3.3563466
|
LogD (pH = 7.4)
|
3.3582478
|
Log P
|
3.3805048
|
Molar Refractivity
|
128.5164 cm3
|
Polarizability
|
49.086704 Å3
|
Polar Surface Area
|
43.78 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Park, C., et al.: J. Med. Chem., 51, 6902 (2008)
- • Olah, Z., et al.: J. Biol. Chem., 276, 11021 (2001)
- • Akada, Y., et al.: Eur. J. Pharmacol., 536, 248 (2001)
- • Joshi, S., et al.: Pain, 123, 75 (2001)
- • McGaraughty, S., et al.: J. Pharmacol. Exp. Ther., 324, 1204 (2001)
- Searching...Please wait...
PATENTS
PATENTS
PubChem Patent
Google Patent