MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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anagrelide

	Properties	Image
MNX_ID	MNXM42025
reference	chebi:142290
formula	C₁₀H₇Cl₂N₃O
global charge	0
mol weight	256.092
InChIKey	OTBXOEAOVRKTNQ-UHFFFAOYSA-N
InChI	InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
SMILES	O=C1CN2CC3=C(C=CC(Cl)=C3Cl)N=C2N1

MNX internals

InChI (mnx)	InChI=1/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
SMILES (mnx)	[CH:1]1=[CH:2][C:7]2=[C:5]([CH2:3][N:15]3[CH2:4][C:8]([OH:16])=[N:14][C:10]3=[N:13]2)[C:9]([Cl:12])=[C:6]1[Cl:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:142290 chebi:142290 OTBXOEAOVRKTNQ-UHFFFAOYSA-N	anagrelide 6,7-dichloro-1,5-dihydroimidazo[2,1-]quinazolin-2(3H)-one anagrelida anagrelidum
kegg.drug:D07455 keggD:D07455 OTBXOEAOVRKTNQ-UHFFFAOYSA-N	Anagrelide (INN/BAN)
hmdb:HMDB0014406 OTBXOEAOVRKTNQ-UHFFFAOYSA-N	Anagrelide 6,7-Dichloro-1,5-dihydroimidazo(2,1-b)quinazolin-2(3H)-one hydrochloride 6,7-dichloro-1H,2H,3H,5H-imidazolidino[2,1-b]quinazolin-2-one Agrelin Agrylin Anagrelida Anagrelide hydrochloride Anagrelidum BL-4162a Imidazo(2,1-b)quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-, monohydrochloride anagrelide
hmdb:HMDB14406 keggD:M_D07455	secondary/obsolete/fantasy identifier