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

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Camicinal

	Properties	Image
MNX_ID	MNXM153116
reference	chebi:177624
formula	C₂₅H₃₃FN₄O
global charge	0
mol weight	424.564
InChIKey	RZKDEGZIFSJVNA-IBGZPJMESA-N
InChI	InChI=1S/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/m0/s1
SMILES	C[C@H]1CN(CC2=CC=C(CC(=O)N3CCC(NC4=CC(F)=CC=C4)CC3)C=C2)CCN1

MNX internals

InChI (mnx)	InChI=1/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/m0/s1
SMILES (mnx)	[CH3:1][C@H:19]1[CH2:17][N:29]([CH2:18][C:21]2=[CH:8][CH:6]=[C:20]([CH2:15][C:25]([N:30]3[CH2:12][CH2:9][CH:23]([NH:28][C:24]4=[CH:4][CH:2]=[CH:3][C:22]([F:26])=[CH:16]4)[CH2:10][CH2:13]3)=[O:31])[CH:5]=[CH:7]2)[CH2:14][CH2:11][NH:27]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:177624 chebi:177624 RZKDEGZIFSJVNA-IBGZPJMESA-N	Camicinal 1-[4-(3-luoroanilino)piperidin-1-yl]-2-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]ethanone
kegg.drug:D10330 keggD:D10330 RZKDEGZIFSJVNA-IBGZPJMESA-N	Camicinal (USAN/INN)
hmdb:HMDB0249573 RZKDEGZIFSJVNA-UHFFFAOYSA-N	Camicinal 1-{4-[(3-fluorophenyl)amino]piperidin-1-yl}-2-{4-[(3-methylpiperazin-1-yl)methyl]phenyl}ethan-1-one 1-{4-[(3-fluorophenyl)amino]piperidin-1-yl}-2-{4-[(3-methylpiperazin-1-yl)methyl]phenyl}ethanone
keggD:M_D10330	secondary/obsolete/fantasy identifier