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Details

Stereochemistry ACHIRAL
Molecular Formula C27H28ClFN6O
Molecular Weight 507.002
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AV-412 FREE BASE

SMILES

CN1CCN(CC1)C(C)(C)C#CC2=CC3=NC=NC(NC4=CC(Cl)=C(F)C=C4)=C3C=C2NC(=O)C=C

InChI

InChIKey=ZAJXXUDARPGGOC-UHFFFAOYSA-N
InChI=1S/C27H28ClFN6O/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32)

HIDE SMILES / InChI

Molecular Formula C27H28ClFN6O
Molecular Weight 507.002
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 02:14:15 UTC 2023
Edited
by admin
on Sat Dec 16 02:14:15 UTC 2023
Record UNII
41OXH4FE7B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AV-412 FREE BASE
Code English
2-PROPENAMIDE, N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-(3-METHYL-3-(4-METHYL-1-PIPERAZINYL)-1-BUTYN-1-YL)-6-QUINAZOLINYL)-
Systematic Name English
MP-312
Code English
Code System Code Type Description
EPA CompTox
DTXSID10196403
Created by admin on Sat Dec 16 02:14:15 UTC 2023 , Edited by admin on Sat Dec 16 02:14:15 UTC 2023
PRIMARY
CAS
451492-95-8
Created by admin on Sat Dec 16 02:14:15 UTC 2023 , Edited by admin on Sat Dec 16 02:14:15 UTC 2023
PRIMARY
FDA UNII
41OXH4FE7B
Created by admin on Sat Dec 16 02:14:15 UTC 2023 , Edited by admin on Sat Dec 16 02:14:15 UTC 2023
PRIMARY
PUBCHEM
9806229
Created by admin on Sat Dec 16 02:14:15 UTC 2023 , Edited by admin on Sat Dec 16 02:14:15 UTC 2023
PRIMARY
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