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Details

Stereochemistry ACHIRAL
Molecular Formula C19H17ClFN5S
Molecular Weight 401.888
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRX-08066 FREE BASE

SMILES

FC1=CC=C(CN2CCC(CC2)NC3=C4C=C(Cl)SC4=NC=N3)C=C1C#N

InChI

InChIKey=IENZFHBNCRQMNP-UHFFFAOYSA-N
InChI=1S/C19H17ClFN5S/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25)

HIDE SMILES / InChI

Molecular Formula C19H17ClFN5S
Molecular Weight 401.888
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:17:44 UTC 2023
Edited
by admin
on Sat Dec 16 02:17:44 UTC 2023
Record UNII
82SK298EBU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRX-08066 FREE BASE
Common Name English
BENZONITRILE, 5-((4-((6-CHLOROTHIENO(2,3-D)PYRIMIDIN-4-YL)AMINO)-1-PIPERIDINYL)METHYL)-2-FLUORO-
Systematic Name English
5-((4-(6-CHLOROTHIENO(2,3-D)PYRIMIDINE-4-YLAMINO)PIPERIDIN-1-YL)METHYL)-2-FLUOROBENZONITRILE
Systematic Name English
Code System Code Type Description
WIKIPEDIA
PRX-08066
Created by admin on Sat Dec 16 02:17:44 UTC 2023 , Edited by admin on Sat Dec 16 02:17:44 UTC 2023
PRIMARY
CAS
866206-54-4
Created by admin on Sat Dec 16 02:17:44 UTC 2023 , Edited by admin on Sat Dec 16 02:17:44 UTC 2023
PRIMARY
PUBCHEM
11502243
Created by admin on Sat Dec 16 02:17:44 UTC 2023 , Edited by admin on Sat Dec 16 02:17:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID60235710
Created by admin on Sat Dec 16 02:17:44 UTC 2023 , Edited by admin on Sat Dec 16 02:17:44 UTC 2023
PRIMARY
FDA UNII
82SK298EBU
Created by admin on Sat Dec 16 02:17:44 UTC 2023 , Edited by admin on Sat Dec 16 02:17:44 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Ki
SALT/SOLVATE -> PARENT
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ACTIVE MOIETY