av-412 free base (Q27258451)

451492-95-8 (English)

14 October 2016

chemical formula

C₂₇H₂₈ClFN₆O

1 reference

451492-95-8 (English)

14 October 2016

canonical SMILES

CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C

1 reference

451492-95-8 (English)

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)

14 October 2016

Identifiers

InChI

1 reference

451492-95-8 (English)

ZAJXXUDARPGGOC-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

451492-95-8 (English)

14 October 2016

1 reference

UNII

41OXH4FE7B

av-412 free base (English)

14 October 2016

1 reference

N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl}acrylamide (English)

14 October 2016

1 reference

451492-95-8 (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL2138625 (English)

14 October 2016

1 reference

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

41OXH4FE7B

av-412 free base (English)