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

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alpidem

	Properties	Image
MNX_ID	MNXM41613
reference	chebi:135649
formula	C₂₁H₂₃Cl₂N₃O
global charge	0
mol weight	404.341
InChIKey	JRTIDHTUMYMPRU-UHFFFAOYSA-N
InChI	InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
SMILES	CCCN(CCC)C(=O)CC1=C(C2=CC=C(Cl)C=C2)N=C2C=CC(Cl)=CN21

MNX internals

InChI (mnx)	InChI=1/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:11][N:25]([CH2:12][CH2:4][CH3:2])[C:20]([CH2:13][C:18]1=[C:21]([C:15]2=[CH:6][CH:8]=[C:16]([Cl:22])[CH:7]=[CH:5]2)[N:24]=[C:19]2[CH:10]=[CH:9][C:17]([Cl:23])=[CH:14][N:26]12)=[O:27]

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:135649 chebi:135649 JRTIDHTUMYMPRU-UHFFFAOYSA-N	alpidem ananxyl
kegg.drug:D02833 keggD:D02833 JRTIDHTUMYMPRU-UHFFFAOYSA-N	Alpidem (USAN/INN)
hmdb:HMDB0248257 JRTIDHTUMYMPRU-UHFFFAOYSA-N	Alpidem 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide SL 80.0342-00Alpidem alpidem
keggD:M_D02833	secondary/obsolete/fantasy identifier