bay-1161909 (CHEBI:757653)

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CHEBI:757653 - bay-1161909

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ChEBI ID	CHEBI:757653
ChEBI Name	bay-1161909
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C29H26FN5O4S
Net Charge	0
Average Mass	559.623
Monoisotopic Mass	559.16895
SMILES	COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1
InChI	InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1
InChIKey	NRJKIOCCERLIDG-GOSISDBHSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	bay-1161909 (CHEBI:757653) has role antineoplastic agent (CHEBI:35610)
	bay-1161909 (CHEBI:757653) is a acetamides (CHEBI:22160)

INN	Source
empesertib	WHO MedNet

Synonyms	Source
Bay-1161909	ChEMBL
(-)-BAY-1161909	ChEMBL
BAY 1161909	ChEMBL
BAY1161909	ChEMBL
MPS1-IN-5	ChEMBL

Citations