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

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nevirapine

	Properties	Image
MNX_ID	MNXM64533
reference	chebi:63613
formula	C₁₅H₁₄N₄O
global charge	0
mol weight	266.304
InChIKey	NQDJXKOVJZTUJA-UHFFFAOYSA-N
InChI	InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
SMILES	CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1

MNX internals

InChI (mnx)	InChI=1/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
SMILES (mnx)	[CH3:1][C:9]1=[CH:6][CH:8]=[N:17][C:14]2=[C:12]1[N:18]=[C:15]([OH:20])[C:11]1=[C:13]([N:16]=[CH:7][CH:2]=[CH:3]1)[N:19]2[CH:10]1[CH2:4][CH2:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63613 chebi:63613 NQDJXKOVJZTUJA-UHFFFAOYSA-N	nevirapine 11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one NEV NVP Nevirapine Viramune
CHEBI:44659 chebi:44659	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
seed.compound:cpd04484 seedM:cpd04484 sabiork.compound:9377 sabiorkM:9377 kegg.compound:C07263 keggC:C07263 NQDJXKOVJZTUJA-UHFFFAOYSA-N	Nevirapine
kegg.drug:D00435 keggD:D00435 NQDJXKOVJZTUJA-UHFFFAOYSA-N	Nevirapine (JAN/USP/INN) ABBR NVP Viramune (TN)
hmdb:HMDB0014383 NQDJXKOVJZTUJA-UHFFFAOYSA-N	Nevirapine 11-Cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one 2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-10-one ABBR NVP BI RG 587 BI-RG-587 BIRG587 Hemihydrate, nevirapine NEV NVP Nevirapine hemihydrate Viramune nevirapine
hmdb:HMDB14383 chebi:7546 keggC:M_C07263 keggD:M_D00435 seedM:M_cpd04484	secondary/obsolete/fantasy identifier