beroterkib (CHEBI:759911)

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CHEBI:759911 - beroterkib

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ChEBI ID	CHEBI:759911
ChEBI Name	beroterkib
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	H2O.C29H31ClFN5O5
Net Charge	0
Average Mass	602.063
Monoisotopic Mass	601.21034
SMILES	COc1cc(F)cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(NC5CCOCC5)ncc4Cl)cc3C2=O)c1.O
InChI	InChI=1S/C29H31ClFN5O5.H2O/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21;/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35);1H2/t16-,25-;/m1./s1
InChIKey	ZZOBEXXCVGOKMK-JSYWXJBKSA-N

Roles Classification

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	beroterkib (CHEBI:759911) has role antineoplastic agent (CHEBI:35610)
	beroterkib (CHEBI:759911) is a alanine derivative (CHEBI:22278)

INN	Source
beroterkib	WHO MedNet

Synonyms	Source
Astx 029	ChEMBL
ASTX-029	ChEMBL
ASTX029	ChEMBL
ASTX-029 MONOHYDRATE	ChEMBL
ASTX029 MONOHYDRATE	ChEMBL
AT35029	ChEMBL