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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H21ClF3NO4S
Molecular Weight 511.941
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-299897

SMILES

C[C@@H](N(C1=CC(F)=CC=C1F)S(=O)(=O)C2=CC=C(Cl)C=C2)C3=C(CCCC(O)=O)C=C(F)C=C3

InChI

InChIKey=IZAOBRWCUGOKNH-OAHLLOKOSA-N
InChI=1S/C24H21ClF3NO4S/c1-15(21-11-7-18(26)13-16(21)3-2-4-24(30)31)29(23-14-19(27)8-12-22(23)28)34(32,33)20-9-5-17(25)6-10-20/h5-15H,2-4H2,1H3,(H,30,31)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H21ClF3NO4S
Molecular Weight 511.941
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:34:18 UTC 2023
Edited
by admin
on Sat Dec 16 16:34:18 UTC 2023
Record UNII
QK855F579S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-299897
Common Name English
2-((1R)-1-((4-CHLOROPHENYL)SULFONYL)(2,5-DIFLUOROPHENYL) AMINO)ETHYL-5-FLUOROBENZENEBUTANOIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
11249248
Created by admin on Sat Dec 16 16:34:18 UTC 2023 , Edited by admin on Sat Dec 16 16:34:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID50460039
Created by admin on Sat Dec 16 16:34:18 UTC 2023 , Edited by admin on Sat Dec 16 16:34:18 UTC 2023
PRIMARY
FDA UNII
QK855F579S
Created by admin on Sat Dec 16 16:34:18 UTC 2023 , Edited by admin on Sat Dec 16 16:34:18 UTC 2023
PRIMARY
CAS
290315-45-6
Created by admin on Sat Dec 16 16:34:18 UTC 2023 , Edited by admin on Sat Dec 16 16:34:18 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY