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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H20FNO5S
Molecular Weight 465.493
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-85958

SMILES

O[C@@H]1[C@H](CC2=CC(=CC=C2)C(O)=O)COC3=CC=C(OCC4=NC5=C(S4)C=CC(F)=C5)C=C13

InChI

InChIKey=RYSLZFOZDSIPHK-VOIUYBSRSA-N
InChI=1S/C25H20FNO5S/c26-17-4-7-22-20(10-17)27-23(33-22)13-31-18-5-6-21-19(11-18)24(28)16(12-32-21)9-14-2-1-3-15(8-14)25(29)30/h1-8,10-11,16,24,28H,9,12-13H2,(H,29,30)/t16-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H20FNO5S
Molecular Weight 465.493
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:30:10 UTC 2023
Edited
by admin
on Fri Dec 15 15:30:10 UTC 2023
Record UNII
CU98Q2IL7P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-85958
Common Name English
(+)-CP 85958
Code English
BENZOIC ACID, 3-(((3R,4R)-6-((5-FLUORO-2-BENZOTHIAZOLYL)METHOXY)-3,4-DIHYDRO-4-HYDROXY-2H-1-BENZOPYRAN-3-YL)METHYL)-
Systematic Name English
CP-085958
Common Name English
CP-85,958
Code English
Code System Code Type Description
PUBCHEM
9956127
Created by admin on Fri Dec 15 15:30:10 UTC 2023 , Edited by admin on Fri Dec 15 15:30:10 UTC 2023
PRIMARY
CAS
134002-60-1
Created by admin on Fri Dec 15 15:30:10 UTC 2023 , Edited by admin on Fri Dec 15 15:30:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID5047297
Created by admin on Fri Dec 15 15:30:10 UTC 2023 , Edited by admin on Fri Dec 15 15:30:10 UTC 2023
PRIMARY
FDA UNII
CU98Q2IL7P
Created by admin on Fri Dec 15 15:30:10 UTC 2023 , Edited by admin on Fri Dec 15 15:30:10 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR