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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H19ClF4N2O4
Molecular Weight 486.844
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MK-0686

SMILES

COC(=O)C1=C(Cl)C=CC=C1C2=CC(F)=C(C=C2)[C@@H](C)NC(=O)C3(CC3)NC(=O)C(F)(F)F

InChI

InChIKey=WZZIQHIQMWJNLU-LLVKDONJSA-N
InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H19ClF4N2O4
Molecular Weight 486.844
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 Fri Dec 15 16:28:07 UTC 2023
Edited
by admin
on Fri Dec 15 16:28:07 UTC 2023
Record UNII
M310323W0U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MK-0686
Code English
3-CHLORO-3'-FLUORO-4'-((1R)-1-(((1-((TRIFLUOROACETYL)AMINO)CYCLOPROPYL)CARBONYL)AMINO)ETHYL)-(1,1'-BIPHENYL)-2-CARBOXYLIC ACID, METHYL ESTER
Common Name English
(1,1'-BIPHENYL)-2-CARBOXYLIC ACID, 3-CHLORO-3'-FLUORO-4'-((1R)-1-(((1-((TRIFLUOROACETYL)AMINO)CYCLOPROPYL)CARBONYL)AMINO)ETHYL)-, METHYL ESTER
Common Name English
MK0686
Code English
Code System Code Type Description
FDA UNII
M310323W0U
Created by admin on Fri Dec 15 16:28:07 UTC 2023 , Edited by admin on Fri Dec 15 16:28:07 UTC 2023
PRIMARY
CAS
578727-68-1
Created by admin on Fri Dec 15 16:28:07 UTC 2023 , Edited by admin on Fri Dec 15 16:28:07 UTC 2023
PRIMARY
DRUG BANK
DB12563
Created by admin on Fri Dec 15 16:28:07 UTC 2023 , Edited by admin on Fri Dec 15 16:28:07 UTC 2023
PRIMARY
SMS_ID
100000174919
Created by admin on Fri Dec 15 16:28:07 UTC 2023 , Edited by admin on Fri Dec 15 16:28:07 UTC 2023
PRIMARY
EPA CompTox
DTXSID20206587
Created by admin on Fri Dec 15 16:28:07 UTC 2023 , Edited by admin on Fri Dec 15 16:28:07 UTC 2023
PRIMARY
PUBCHEM
16102897
Created by admin on Fri Dec 15 16:28:07 UTC 2023 , Edited by admin on Fri Dec 15 16:28:07 UTC 2023
PRIMARY
ChEMBL
CHEMBL232943
Created by admin on Fri Dec 15 16:28:07 UTC 2023 , Edited by admin on Fri Dec 15 16:28:07 UTC 2023
PRIMARY
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