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Details

Stereochemistry ACHIRAL
Molecular Formula C26H30F3N7O2
Molecular Weight 529.5573
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AST-487

SMILES

CCN1CCN(CC2=CC=C(NC(=O)NC3=CC=C(OC4=NC=NC(NC)=C4)C=C3)C=C2C(F)(F)F)CC1

InChI

InChIKey=ODPGGGTTYSGTGO-UHFFFAOYSA-N
InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)

HIDE SMILES / InChI

Molecular Formula C26H30F3N7O2
Molecular Weight 529.5573
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 10:04:49 UTC 2023
Edited
by admin
on Sat Dec 16 10:04:49 UTC 2023
Record UNII
W34UO2M4T6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AST-487
Common Name English
UREA, N-(4-((4-ETHYL-1-PIPERAZINYL)METHYL)-3-(TRIFLUOROMETHYL)PHENYL)-N'-(4-((6-(METHYLAMINO)-4-PYRIMIDINYL)OXY)PHENYL)-
Systematic Name English
NVP-AST-487
Code English
NVP-AST487
Code English
Code System Code Type Description
CAS
630124-46-8
Created by admin on Sat Dec 16 10:04:50 UTC 2023 , Edited by admin on Sat Dec 16 10:04:50 UTC 2023
PRIMARY
CAS
1069112-48-6
Created by admin on Sat Dec 16 10:04:50 UTC 2023 , Edited by admin on Sat Dec 16 10:04:50 UTC 2023
SUPERSEDED
FDA UNII
W34UO2M4T6
Created by admin on Sat Dec 16 10:04:50 UTC 2023 , Edited by admin on Sat Dec 16 10:04:50 UTC 2023
PRIMARY
ChEMBL
CHEMBL574738
Created by admin on Sat Dec 16 10:04:50 UTC 2023 , Edited by admin on Sat Dec 16 10:04:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID70212239
Created by admin on Sat Dec 16 10:04:50 UTC 2023 , Edited by admin on Sat Dec 16 10:04:50 UTC 2023
PRIMARY
PUBCHEM
11409972
Created by admin on Sat Dec 16 10:04:50 UTC 2023 , Edited by admin on Sat Dec 16 10:04:50 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY