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Details

Stereochemistry RACEMIC
Molecular Formula C23H25F3N4O5
Molecular Weight 494.4636
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGP-20712

SMILES

CN1C=C(N=C1C2=CC=C(OCC(O)CNCCOC3=CC=C(O)C(=C3)C(N)=O)C=C2)C(F)(F)F

InChI

InChIKey=GKJZEKSHCJELPL-UHFFFAOYSA-N
InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)

HIDE SMILES / InChI

Molecular Formula C23H25F3N4O5
Molecular Weight 494.4636
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:51:51 UTC 2023
Edited
by admin
on Sat Dec 16 09:51:51 UTC 2023
Record UNII
SIO2UEZ19H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP-20712
Common Name English
BENZAMIDE, 2-HYDROXY-5-(2-((2-HYDROXY-3-(4-(1-METHYL-4-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2-YL)PHENOXY)PROPYL)AMINO)ETHOXY)-, (±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
2685
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
PRIMARY
FDA UNII
SIO2UEZ19H
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
PRIMARY
CAS
81015-67-0
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
SUPERSEDED
CAS
137888-49-4
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID301001709
Created by admin on Sat Dec 16 09:51:51 UTC 2023 , Edited by admin on Sat Dec 16 09:51:51 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
IC50
PARENT -> SALT/SOLVATE
SALT/SOLVATE -> PARENT