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GR 127935(1+)

PropertiesImage
MNX_IDMNXM156447 Image of MNXM156447
referencechebi:64113
formulaC29H32N5O3
global charge1
mol weight498.607
InChIKeyYDBCEBYHYKAFRX-UHFFFAOYSA-O
InChIInChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)/p+1
SMILESCOC1=C(N2CC[NH+](C)CC2)C=C(NC(=O)C2=CC=C(C3=C(C)C=C(C4=NOC(C)=N4)C=C3)C=C2)C=C1
MNX internals
InChI (mnx)InChI=1/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) Image of MNXM156447
SMILES (mnx)[CH3:1][C:19]1=[C:25]([C:21]2=[CH:6][CH:8]=[C:22]([C:29]([NH:31][C:24]3=[CH:18][C:26]([N:34]4[CH2:15][CH2:13][N:33]([CH3:3])[CH2:14][CH2:16]4)=[C:27]([O:36][CH3:4])[CH:12]=[CH:10]3)=[O:35])[CH:7]=[CH:5]2)[CH:11]=[CH:9][C:23]([C:28]2=[N:32][O:37][C:20]([CH3:2])=[N:30]2)=[CH:17]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

CHEBI:64113
chebi:64113
YDBCEBYHYKAFRX-UHFFFAOYSA-O 		GR 127935(1+)
4-[2-methoxy-5-({[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl}amino)phenyl]-1-methylpiperazin-1-ium
GR 127935 cation
GR127935 cation
GR127935(1+)
hmdb:HMDB0244655
YDBCEBYHYKAFRX-UHFFFAOYSA-N 		2'-Methyl-4'-(5-methyl-(1,2,4)-oxadiazol-3-yl)biphenyl-4-carboxylic acid (4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)amide
2'-Methyl-4'-(5-methyl-(1,2,4)-oxadiazol-3-yl)biphenyl-4-carboxylate (4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)amide
GR-127935
GR127935
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carboxamide

CHEBI:64114
chebi:64114
YDBCEBYHYKAFRX-UHFFFAOYSA-N 		GR 127935
2'-Methyl-4'-(5-methyl-(1,2,4)-oxadiazol-3-yl)biphenyl-4-carboxylic acid (4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)amide
GR-127935
GR127935
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide