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Details

Stereochemistry ACHIRAL
Molecular Formula C20H12F4N4O3S
Molecular Weight 464.3947
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCTAN-5-YL)-2-FLUOROBENZOIC ACID

SMILES

C1CC2(C1)C(=O)N(c3cc(c(C#N)nc3)C(F)(F)F)C(=S)N2c4ccc(c(c4)F)C(=O)O

InChI

InChIKey=ICXCBGDFYFFSGX-UHFFFAOYSA-N
InChI=1S/C20H12F4N4O3S/c21-14-7-10(2-3-12(14)16(29)30)28-18(32)27(17(31)19(28)4-1-5-19)11-6-13(20(22,23)24)15(8-25)26-9-11/h2-3,6-7,9H,1,4-5H2,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C20H12F4N4O3S
Molecular Weight 464.3947
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 Jun 26 11:19:36 UTC 2021
Edited
by admin
on Sat Jun 26 11:19:36 UTC 2021
Record UNII
Y58Z86OCE2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCTAN-5-YL)-2-FLUOROBENZOIC ACID
Systematic Name English
JNJ-56142021
Code English
ARN000066
Code English
APALUTAMIDE METABOLITE M4
Common Name English
BENZOIC ACID, 4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)-3-PYRIDINYL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCT-5-YL)-2-FLUORO-
Systematic Name English
Code System Code Type Description
PUBCHEM
86683488
Created by admin on Sat Jun 26 11:19:36 UTC 2021 , Edited by admin on Sat Jun 26 11:19:36 UTC 2021
PRIMARY
FDA UNII
Y58Z86OCE2
Created by admin on Sat Jun 26 11:19:36 UTC 2021 , Edited by admin on Sat Jun 26 11:19:36 UTC 2021
PRIMARY
CAS
1332391-04-4
Created by admin on Sat Jun 26 11:19:36 UTC 2021 , Edited by admin on Sat Jun 26 11:19:36 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
OFF-TARGET ACTIVITY: INHIBITING LIGAND BINDING TO THE AGBAA CHLORIDE ION CHANNEL
BINDING
IC50
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FECAL
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PLASMA