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

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SB 224289

	Properties	Image
MNX_ID	MNXM160999
reference	chebi:64069
formula	C₃₂H₃₂N₄O₃
global charge	0
mol weight	520.633
InChIKey	ATQMRMGXINTJHV-UHFFFAOYSA-N
InChI	InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
SMILES	CC1=NC(C2=CC(C)=C(C3=CC=C(C(=O)N4CCC5=C4C=C4C(=C5)OCC45CCN(C)CC5)C=C3)C=C2)=NO1

MNX internals

InChI (mnx)	InChI=1/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
SMILES (mnx)	[CH3:1][C:20]1=[C:26]([C:22]2=[CH:5][CH:7]=[C:23]([C:31]([N:36]3[CH2:13][CH2:10][C:24]4=[CH:17][C:29]5=[C:27]([CH:18]=[C:28]43)[C:32]3([CH2:11][CH2:14][N:35]([CH3:3])[CH2:15][CH2:12]3)[CH2:19][O:38]5)=[O:37])[CH:6]=[CH:4]2)[CH:9]=[CH:8][C:25]([C:30]2=[N:34][O:39][C:21]([CH3:2])=[N:33]2)=[CH:16]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
Identifier	Description
CHEBI:64069 chebi:64069 ATQMRMGXINTJHV-UHFFFAOYSA-N	SB 224289 (1'-methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methanone SB224289
CHEBI:64071 chebi:64071 ATQMRMGXINTJHV-UHFFFAOYSA-O	SB 224289(1+) 1'-methyl-5-{[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl}-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidinium] SB 224289 cation