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CHEBI:759906 - av-412

Default Structure
ChEBI IDCHEBI:759906
ChEBI Nameav-412
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC7H8O3S.C7H8O3S.C27H28ClFN6O
Net Charge0
Average Mass851.423
Monoisotopic Mass850.23855
SMILESC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#CC(C)(C)N1CCN(C)CC1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C27H28ClFN6O.2C7H8O3S/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;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32);2*2-5H,1H3,(H,8,9,10)
InChIKeyGTWJVFFZCKODEV-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
av-412 (CHEBI:759906) has role antineoplastic agent (CHEBI:35610)
av-412 (CHEBI:759906) is a quinazolines (CHEBI:38530)
Synonyms  Source
Av-412ChEMBL
Mp 412ChEMBL
Mp-412ChEMBL
MP-412 DITOSYLATEChEMBL