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CHEBI:760462 - hro-761

Default Structure
ChEBI IDCHEBI:760462
ChEBI Namehro-761
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC31H31ClF3N9O5
Net Charge0
Average Mass702.094
Monoisotopic Mass701.20888
SMILESCCc1c(N2CCN(C(=O)c3ncnc(C)c3O)CC2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C31H31ClF3N9O5/c1-3-22-25(41-8-10-42(11-9-41)28(47)24-26(46)17(2)36-16-37-24)29(48)44-30(39-27(40-44)18-6-12-49-13-7-18)43(22)15-23(45)38-21-5-4-19(14-20(21)32)31(33,34)35/h4-6,14,16,46H,3,7-13,15H2,1-2H3,(H,38,45)
InChIKeyXKYVECRUZPCRQR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
hro-761 (CHEBI:760462) has role antineoplastic agent (CHEBI:35610)
hro-761 (CHEBI:760462) is a N-arylpiperazine (CHEBI:46848)
Synonyms  Source
Hro-761ChEMBL
Hro761ChEMBL