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CHEBI:759205 - abefolastat tesaroxetan

Default Structure
ChEBI IDCHEBI:759205
ChEBI Nameabefolastat tesaroxetan
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC100H150N20O24
Net Charge0
Average Mass2016.416
Monoisotopic Mass2015.11319
SMILESO=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCC(=O)NC12CNCCNCC(NC(=O)CCCC(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)(CNCCNC1)CNCCNC2)C(=O)O)C(=O)O
InChIInChI=1S/C100H150N20O24/c121-81(107-49-25-21-37-73(93(135)136)115-97(143)117-75(95(139)140)45-47-87(127)128)39-19-3-1-5-23-51-109-89(131)77(59-69-29-11-7-12-30-69)113-91(133)79(61-71-33-15-9-16-34-71)111-83(123)41-27-43-85(125)119-99-63-101-53-56-104-66-100(67-105-57-54-102-64-99,68-106-58-55-103-65-99)120-86(126)44-28-42-84(124)112-80(62-72-35-17-10-18-36-72)92(134)114-78(60-70-31-13-8-14-32-70)90(132)110-52-24-6-2-4-20-40-82(122)108-50-26-22-38-74(94(137)138)116-98(144)118-76(96(141)142)46-48-88(129)130/h7-18,29-36,73-80,101-106H,1-6,19-28,37-68H2,(H,107,121)(H,108,122)(H,109,131)(H,110,132)(H,111,123)(H,112,124)(H,113,133)(H,114,134)(H,119,125)(H,120,126)(H,127,128)(H,129,130)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H2,115,117,143)(H2,116,118,144)/t73-,74-,75-,76-,77+,78+,79+,80+,99?,100?/m0/s1
InChIKeyKUSHPDNZFGMDOD-MXMGMDFJSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
abefolastat tesaroxetan (CHEBI:759205) has functional parent pentacarboxylic acid (CHEBI:35743)
abefolastat tesaroxetan (CHEBI:759205) has role antineoplastic agent (CHEBI:35610)
abefolastat tesaroxetan (CHEBI:759205) is a organooxygen compound (CHEBI:36963)
INN  Source
abefolastat tesaroxetanWHO MedNet