patidegib hydrochloride (CHEBI:751613)

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CHEBI:751613 - patidegib hydrochloride

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ChEBI ID	CHEBI:751613
ChEBI Name	patidegib hydrochloride
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	HCl.C29H48N2O3S
Net Charge	0
Average Mass	541.242
Monoisotopic Mass	540.31524
SMILES	Cl.[H][C@]12CC[C@]3([H])[C@]([H])(CC4=C(C)C[C@]5(CC[C@]43[H])O[C@]3([H])C[C@H](C)CN[C@@]3([H])[C@H]5C)[C@@]1(C)CC[C@@H](NS(C)(=O)=O)C2
InChI	InChI=1S/C29H48N2O3S.ClH/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29;/h17,19-23,25-27,30-31H,6-16H2,1-5H3;1H/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-;/m0./s1
InChIKey	LICVMCOINZNZNW-BATHLIJTSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	patidegib hydrochloride (CHEBI:751613) has role antineoplastic agent (CHEBI:35610)
	patidegib hydrochloride (CHEBI:751613) is a piperidines (CHEBI:26151)

Synonyms	Source
FIN-6 HYDROCHLORIDE	ChEMBL
IP-9 HYDROCHLORIDE	ChEMBL
IPI-926 hydrochloride	ChEMBL
Patidegib hydrochloride	ChEMBL