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Details

Stereochemistry ACHIRAL
Molecular Formula C25H19NO3S
Molecular Weight 413.488
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NU-7441

SMILES

O=C1C=C(OC2=C(C=CC=C12)C3=C4SC5=CC=CC=C5C4=CC=C3)N6CCOCC6

InChI

InChIKey=JAMULYFATHSZJM-UHFFFAOYSA-N
InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2

HIDE SMILES / InChI

Molecular Formula C25H19NO3S
Molecular Weight 413.488
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P78527|||Q9UME3
Gene ID: 5591.0
Gene Symbol: PRKDC
Target Organism: Homo sapiens (Human)
14.0 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:05:38 GMT 2023
Edited
by admin
on Sat Dec 16 19:05:38 GMT 2023
Record UNII
XF6ZJD5WGU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NU-7441
Common Name English
8-(4-DIBENZOTHIENYL)-2-(4-MORPHOLINYL)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 8-(4-DIBENZOTHIENYL)-2-(4-MORPHOLINYL)-
Systematic Name English
KU-57788
Code English
Code System Code Type Description
PUBCHEM
11327430
Created by admin on Sat Dec 16 19:05:38 GMT 2023 , Edited by admin on Sat Dec 16 19:05:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID60462509
Created by admin on Sat Dec 16 19:05:38 GMT 2023 , Edited by admin on Sat Dec 16 19:05:38 GMT 2023
PRIMARY
CAS
503468-95-9
Created by admin on Sat Dec 16 19:05:38 GMT 2023 , Edited by admin on Sat Dec 16 19:05:38 GMT 2023
PRIMARY
FDA UNII
XF6ZJD5WGU
Created by admin on Sat Dec 16 19:05:38 GMT 2023 , Edited by admin on Sat Dec 16 19:05:38 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY