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CHEBI:758183 - tas0612

Default Structure
ChEBI IDCHEBI:758183
ChEBI Nametas0612
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC28H36F3N9O
Net Charge0
Average Mass571.652
Monoisotopic Mass571.29949
SMILESCC(C)(C)NCCNc1ccc(C2=NN=C(C(F)(F)F)C2)nc1C1CCN(c2ncnc3c2C(C)(C)C(=O)N3)CC1
InChIInChI=1S/C28H36F3N9O/c1-26(2,3)35-11-10-32-18-7-6-17(19-14-20(39-38-19)28(29,30)31)36-22(18)16-8-12-40(13-9-16)24-21-23(33-15-34-24)37-25(41)27(21,4)5/h6-7,15-16,32,35H,8-14H2,1-5H3,(H,33,34,37,41)
InChIKeyUVKWCPOZHXNKAZ-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
tas0612 (CHEBI:758183) has role antineoplastic agent (CHEBI:35610)
tas0612 (CHEBI:758183) is a pyrrolopyrimidine (CHEBI:38670)
Synonym  Source
Tas0612ChEMBL