EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:759080 - kw-2450

Default Structure
ChEBI IDCHEBI:759080
ChEBI Namekw-2450
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC7H8O3S.C28H29N5O3S
Net Charge0
Average Mass687.844
Monoisotopic Mass687.21853
SMILESCc1ccc(S(=O)(=O)O)cc1.Cc1ccsc1C(=O)Nc1cc(CN2CCN(C(=O)CO)CC2)ccc1/C=C/c1nnc2ccccc12
InChIInChI=1S/C28H29N5O3S.C7H8O3S/c1-19-10-15-37-27(19)28(36)29-25-16-20(17-32-11-13-33(14-12-32)26(35)18-34)6-7-21(25)8-9-24-22-4-2-3-5-23(22)30-31-24;1-6-2-4-7(5-3-6)11(8,9)10/h2-10,15-16,34H,11-14,17-18H2,1H3,(H,29,36)(H,30,31);2-5H,1H3,(H,8,9,10)/b9-8+;
InChIKeySIJKXSMUXNJNQM-HRNDJLQDSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
kw-2450 (CHEBI:759080) has role antineoplastic agent (CHEBI:35610)
kw-2450 (CHEBI:759080) is a aromatic amide (CHEBI:62733)
Synonym  Source
KW-2450ChEMBL
Citations