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vibegron

PropertiesImage
MNX_IDMNXM162113 Image of MNXM162113
referencechebi:142418
formulaC26H28N4O3
global charge0
mol weight444.535
InChIKeyDJXRIQMCROIRCZ-XOEOCAAJSA-N
InChIInChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
SMILESO=C(NC1=CC=C(C[C@@H]2CC[C@H]([C@H](O)C3=CC=CC=C3)N2)C=C1)[C@@H]1CCC2=NC=CC(=O)N21
MNX internals
InChI (mnx)InChI=1/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1 Image of MNXM162113
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:18]([C@H:25]([C@H:21]2[CH2:11][CH2:10][C@@H:20]([CH2:16][C:17]3=[CH:7][CH:9]=[C:19]([NH:29][C:26]([C@@H:22]4[CH2:12][CH2:13][C:23]5=[N:27][CH:15]=[CH:14][C:24](=[O:31])[N:30]45)=[O:33])[CH:8]=[CH:6]3)[NH:28]2)[OH:32])[CH:5]=[CH:3]1
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
IdentifierDescription

reactome:R-ALL-9624761
reactomeM:R-ALL-9624761
CHEBI:142418
chebi:142418
DJXRIQMCROIRCZ-XOEOCAAJSA-N 		vibegron
(6S)-N-[4-({(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl}methyl)phenyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide
Beova
MK-4618
vibegronum
hmdb:HMDB0259801
DJXRIQMCROIRCZ-UHFFFAOYSA-N 		VIBEGRON
N-[4-({5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl}methyl)phenyl]-4-oxo-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
N-[4-({5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl}methyl)phenyl]-4-oxo-6H,7H,8H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

kegg.drug:D10433
keggD:D10433
DJXRIQMCROIRCZ-XOEOCAAJSA-N 		Vibegron (JAN/USAN/INN)
Beova (TN)
Gemtesa (TN)

keggD:M_D10433 		secondary/obsolete/fantasy identifier