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Details

Stereochemistry ACHIRAL
Molecular Formula C24H26N4O3
Molecular Weight 418.4882
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NRC-2694

SMILES

COC1=CC2=NC=NC(NC3=CC=CC(=C3)C#C)=C2C=C1OCCCN4CCOCC4

InChI

InChIKey=WBKHQQZRHCECKK-UHFFFAOYSA-N
InChI=1S/C24H26N4O3/c1-3-18-6-4-7-19(14-18)27-24-20-15-23(22(29-2)16-21(20)25-17-26-24)31-11-5-8-28-9-12-30-13-10-28/h1,4,6-7,14-17H,5,8-13H2,2H3,(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C24H26N4O3
Molecular Weight 418.4882
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 09:44:36 UTC 2023
Edited
by admin
on Sat Dec 16 09:44:36 UTC 2023
Record UNII
O898S9836V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NRC-2694
Common Name English
4-QUINAZOLINAMINE, N-(3-ETHYNYLPHENYL)-7-METHOXY-6-(3-(4-MORPHOLINYL)PROPOXY)-
Systematic Name English
N-(3-ETHYNYLPHENYL)-7-METHOXY-6-(3-(4-MORPHOLINYL)PROPOXY)-4-QUINAZOLINAMINE
Systematic Name English
Code System Code Type Description
PUBCHEM
16129168
Created by admin on Sat Dec 16 09:44:36 UTC 2023 , Edited by admin on Sat Dec 16 09:44:36 UTC 2023
PRIMARY
CAS
936446-61-6
Created by admin on Sat Dec 16 09:44:36 UTC 2023 , Edited by admin on Sat Dec 16 09:44:36 UTC 2023
PRIMARY
FDA UNII
O898S9836V
Created by admin on Sat Dec 16 09:44:36 UTC 2023 , Edited by admin on Sat Dec 16 09:44:36 UTC 2023
PRIMARY
NCI_THESAURUS
C187045
Created by admin on Sat Dec 16 09:44:36 UTC 2023 , Edited by admin on Sat Dec 16 09:44:36 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
In an in vitro study to test kinase selectivity profile of NRC-2694 (free base) against a panel of 353 kinases, NRC-2694 was found to be effective (0 or 0.1% of DMSO control) against EGFR, EGFR (E746-A750del), EGFR (G719C), EGFR (G719S), EGFR (L747-E749del, A750P), EGFR (L747-S752del, P753S), EGFR (L747-T751del, Sins), EGFR (L858R), EGFR (L861Q), EGFR (S752-I759del), GAK and LOK kinase.
IN-VITRO
Related Record Type Details
ACTIVE MOIETY