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Details

Stereochemistry ACHIRAL
Molecular Formula C23H18N6O2
Molecular Weight 410.428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-(4-((1H-INDAZOL-5-YL)AMINO)QUINAZOLIN-2-YL)PHENOXY)ACETAMIDE

SMILES

NC(=O)COC1=CC=CC(=C1)C2=NC3=C(C=CC=C3)C(NC4=CC=C5NN=CC5=C4)=N2

InChI

InChIKey=LCCUVYBNWKCWDG-UHFFFAOYSA-N
InChI=1S/C23H18N6O2/c24-21(30)13-31-17-5-3-4-14(11-17)22-27-20-7-2-1-6-18(20)23(28-22)26-16-8-9-19-15(10-16)12-25-29-19/h1-12H,13H2,(H2,24,30)(H,25,29)(H,26,27,28)

HIDE SMILES / InChI

Molecular Formula C23H18N6O2
Molecular Weight 410.428
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 18:57:58 GMT 2023
Edited
by admin
on Sat Dec 16 18:57:58 GMT 2023
Record UNII
8NTY8K3WER
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-(4-((1H-INDAZOL-5-YL)AMINO)QUINAZOLIN-2-YL)PHENOXY)ACETAMIDE
Common Name English
ACETAMIDE, 2-(3-(4-(1H-INDAZOL-5-YLAMINO)-2-QUINAZOLINYL)PHENOXY)-
Systematic Name English
BELUMOSUDIL METABOLITE M1
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID001175927
Created by admin on Sat Dec 16 18:57:59 GMT 2023 , Edited by admin on Sat Dec 16 18:57:59 GMT 2023
PRIMARY
PUBCHEM
59361939
Created by admin on Sat Dec 16 18:57:59 GMT 2023 , Edited by admin on Sat Dec 16 18:57:59 GMT 2023
PRIMARY
FDA UNII
8NTY8K3WER
Created by admin on Sat Dec 16 18:57:59 GMT 2023 , Edited by admin on Sat Dec 16 18:57:59 GMT 2023
PRIMARY
CAS
911417-89-5
Created by admin on Sat Dec 16 18:57:59 GMT 2023 , Edited by admin on Sat Dec 16 18:57:59 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
MINOR
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