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luminespib

PropertiesImage
MNX_IDMNXM157548 Image of MNXM157548
referencechebi:83656
formulaC26H31N3O5
global charge0
mol weight465.55
InChIKeyNDAZATDQFDPQBD-UHFFFAOYSA-N
InChIInChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)
SMILESCCNC(=O)C1=NOC(C2=CC(C(C)C)=C(O)C=C2O)=C1C1=CC=C(CN2CCOCC2)C=C1
MNX internals
InChI (mnx)InChI=1/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) Image of MNXM157548
SMILES (mnx)[CH3:1][CH2:4][NH:27][C:26]([C:24]1=[N:28][O:34][C:25]([C:20]2=[C:22]([OH:31])[CH:14]=[C:21]([OH:30])[C:19]([CH:16]([CH3:2])[CH3:3])=[CH:13]2)=[C:23]1[C:18]1=[CH:8][CH:6]=[C:17]([CH2:15][N:29]2[CH2:9][CH2:11][O:33][CH2:12][CH2:10]2)[CH:5]=[CH:7]1)=[O:32]
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:83656
chebi:83656
NDAZATDQFDPQBD-UHFFFAOYSA-N 		luminespib
5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
NVP-AUY922

kegg.drug:D10646
keggD:D10646
NDAZATDQFDPQBD-UHFFFAOYSA-N 		Luminespib (USAN/INN)
hmdb:HMDB0254202
NDAZATDQFDPQBD-UHFFFAOYSA-N 		Luminespib
5-(2,4-Dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide
5-(2,4-Dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide
5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
NVP-AUY922
nvp-AUY922

keggD:M_D10646 		secondary/obsolete/fantasy identifier