pyrotinib (CHEBI:755675)

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CHEBI:755675 - pyrotinib

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ChEBI ID	CHEBI:755675
ChEBI Name	pyrotinib
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C32H31ClN6O3
Net Charge	0
Average Mass	583.092
Monoisotopic Mass	582.21462
SMILES	CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/[C@H]1CCCN1C
InChI	InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1
InChIKey	SADXACCFNXBCFY-IYNHSRRRSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	pyrotinib (CHEBI:755675) has role antineoplastic agent (CHEBI:35610)
	pyrotinib (CHEBI:755675) is a organochlorine compound (CHEBI:36683)
	pyrotinib (CHEBI:755675) is a quinolines (CHEBI:26513)

Synonyms	Source
Pyrotinib	ChEMBL
SHR-1258	ChEMBL

Citations