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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14Cl2FNO5
Molecular Weight 378.1802
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MGS-0039

SMILES

c1cc(c(cc1CO[C@]2([H])C[C@]3([H])[C@@]([H])([C@]3(C(=O)O)F)[C@@]2(C(=O)O)N)Cl)Cl

InChI

InChIKey=LFAGGDAZZKUVKO-JAGWWQSPSA-N
InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H14Cl2FNO5
Molecular Weight 378.1802
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:03:22 UTC 2021
Edited
by admin
on Sat Jun 26 09:03:22 UTC 2021
Record UNII
M8KC1PQ31A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MGS-0039
Code English
BICYCLO(3.1.0)HEXANE-2,6-DICARBOXYLIC ACID, 2-AMINO-3-((3,4-DICHLOROPHENYL)METHOXY)-6-FLUORO-, (1R,2R,3R,5R,6R)-
Systematic Name English
BCI-632
Code English
Code System Code Type Description
PUBCHEM
9886034
Created by admin on Sat Jun 26 09:03:22 UTC 2021 , Edited by admin on Sat Jun 26 09:03:22 UTC 2021
PRIMARY
EPA CompTox
569686-87-9
Created by admin on Sat Jun 26 09:03:22 UTC 2021 , Edited by admin on Sat Jun 26 09:03:22 UTC 2021
PRIMARY
FDA UNII
M8KC1PQ31A
Created by admin on Sat Jun 26 09:03:22 UTC 2021 , Edited by admin on Sat Jun 26 09:03:22 UTC 2021
PRIMARY
CAS
569686-87-9
Created by admin on Sat Jun 26 09:03:22 UTC 2021 , Edited by admin on Sat Jun 26 09:03:22 UTC 2021
PRIMARY
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