px-478 (CHEBI:756561)

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CHEBI:756561 - px-478

Formula	HCl.C13H18Cl2N2O3.HCl
Net Charge	0
Average Mass	394.126
Monoisotopic Mass	392.02280
SMILES	Cl.Cl.N[C@@H](Cc1ccc([N+]([O-])(CCCl)CCCl)cc1)C(=O)O
InChI	InChI=1S/C13H18Cl2N2O3.2ClH/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;;/h1-4,12H,5-9,16H2,(H,18,19);2*1H/t12-;;/m0../s1
InChIKey	GIGCDIVNDFQKRA-LTCKWSDVSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	px-478 (CHEBI:756561) has role antineoplastic agent (CHEBI:35610)
	px-478 (CHEBI:756561) is a phenylalanine derivative (CHEBI:25985)

Synonyms	Source
Px 478	ChEMBL
Px-478	ChEMBL

Citations