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Details

Stereochemistry ACHIRAL
Molecular Formula C20H23F4N3O
Molecular Weight 397.4105
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CBS-0550

SMILES

CC(C)(C)c1c/c(=N\C(=O)c2cccc(c2F)C(F)(F)F)/n(CC3CC3)n1C

InChI

InChIKey=PABOWKPYVAFTRN-PCLIKHOPSA-N
InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+

HIDE SMILES / InChI

Molecular Formula C20H23F4N3O
Molecular Weight 397.4105
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:09:20 UTC 2021
Edited
by admin
on Sat Jun 26 06:09:20 UTC 2021
Record UNII
TB180WQ919
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CBS-0550
Common Name English
N-((3E)-2-(CYCLOPROPYLMETHYL)-1-METHYL-5-(2-METHYL-2-PROPANYL)-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE)-2-FLUORO-3-(TRIFLUOROMETHYL)BENZAMIDE
Systematic Name English
BENZAMIDE, N-((3E)-2-(CYCLOPROPYLMETHYL)-5-(1,1-DIMETHYLETHYL)-1,2-DIHYDRO-1-METHYL-3H-PYRAZOL-3-YLIDENE)-2-FLUORO-3-(TRIFLUOROMETHYL)-
Systematic Name English
BENZAMIDE, N-(2-(CYCLOPROPYLMETHYL)-5-(1,1-DIMETHYLETHYL)-1,2-DIHYDRO-1-METHYL-3H-PYRAZOL-3-YLIDENE)-2-FLUORO-3-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
CBS-0550
Created by admin on Sat Jun 26 06:09:20 UTC 2021 , Edited by admin on Sat Jun 26 06:09:20 UTC 2021
PRIMARY
PUBCHEM
24763642
Created by admin on Sat Jun 26 06:09:20 UTC 2021 , Edited by admin on Sat Jun 26 06:09:20 UTC 2021
PRIMARY
FDA UNII
TB180WQ919
Created by admin on Sat Jun 26 06:09:20 UTC 2021 , Edited by admin on Sat Jun 26 06:09:20 UTC 2021
PRIMARY
CAS
887289-02-3
Created by admin on Sat Jun 26 06:09:20 UTC 2021 , Edited by admin on Sat Jun 26 06:09:20 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> AGONIST
High selectivity for CB2 (CB1 IC50/CB2 IC50 = 1400),
EC50
Related Record Type Details
ACTIVE MOIETY