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

Feedback

AZD3463

	Properties	Image
MNX_ID	MNXM1128809
reference	chebi:167653
formula	C₂₄H₂₅ClN₆O
global charge	0
mol weight	448.958
InChIKey	GCYIGMXOIWJGBU-UHFFFAOYSA-N
InChI	InChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)
SMILES	COC1=C(NC2=NC=C(Cl)C(C3=CNC4=CC=CC=C43)=N2)C=CC(N2CCC(N)CC2)=C1

MNX internals

InChI (mnx)	InChI=1/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)
SMILES (mnx)	[CH3:1][O:32][C:22]1=[C:21]([NH:29][C:24]2=[N:28][CH:14]=[C:19]([Cl:25])[C:23]([C:18]3=[CH:13][NH:27][C:20]4=[CH:5][CH:3]=[CH:2][CH:4]=[C:17]34)=[N:30]2)[CH:7]=[CH:6][C:16]([N:31]2[CH2:10][CH2:8][CH:15]([NH2:26])[CH2:9][CH2:11]2)=[CH:12]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
reactome:R-ALL-9702329 reactomeM:R-ALL-9702329 CHEBI:167653 chebi:167653 GCYIGMXOIWJGBU-UHFFFAOYSA-N	AZD3463 AZD 3463 AZD-3463 N-[4-(4-amino-1-piperidinyl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)-2-pyrimidinamine N-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine