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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H25Cl2N3O4
Molecular Weight 502.3905
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIN-117 FREE BASE

SMILES

Cc1nnc(-c2cc3c(cccc3o2)OC[C@]([H])(CN4CCC(CC4)c5ccc(c(c5)Cl)Cl)O)o1

InChI

InChIKey=XIYDIPLATGRHEC-SFHVURJKSA-N
InChI=1S/C25H25Cl2N3O4/c1-15-28-29-25(33-15)24-12-19-22(3-2-4-23(19)34-24)32-14-18(31)13-30-9-7-16(8-10-30)17-5-6-20(26)21(27)11-17/h2-6,11-12,16,18,31H,7-10,13-14H2,1H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H25Cl2N3O4
Molecular Weight 502.3905
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 Jun 26 00:10:24 UTC 2021
Edited
by admin
on Sat Jun 26 00:10:24 UTC 2021
Record UNII
QM05G7NM4H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIN-117 FREE BASE
Common Name English
(.ALPHA.S)-4-(3,4-DICHLOROPHENYL)-.ALPHA.-(((2-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-4-BENZOFURANYL)OXY)METHYL)-1-PIPERIDINEETHANOL
Systematic Name English
1-PIPERIDINEETHANOL, 4-(3,4-DICHLOROPHENYL)-.ALPHA.-(((2-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-4-BENZOFURANYL)OXY)METHYL)-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
CAS
310392-94-0
Created by admin on Sat Jun 26 00:10:24 UTC 2021 , Edited by admin on Sat Jun 26 00:10:24 UTC 2021
PRIMARY
WIKIPEDIA
MIN-117
Created by admin on Sat Jun 26 00:10:24 UTC 2021 , Edited by admin on Sat Jun 26 00:10:24 UTC 2021
PRIMARY
FDA UNII
QM05G7NM4H
Created by admin on Sat Jun 26 00:10:24 UTC 2021 , Edited by admin on Sat Jun 26 00:10:24 UTC 2021
PRIMARY
PUBCHEM
9806065
Created by admin on Sat Jun 26 00:10:24 UTC 2021 , Edited by admin on Sat Jun 26 00:10:24 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY