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Golvatinib

PropertiesImage
MNX_IDMNXM105423 Image of MNXM105423
referencechebi:177746
formulaC33H37F2N7O4
global charge0
mol weight633.7
InChIKeyUQRCJCNVNUFYDX-UHFFFAOYSA-N
InChIInChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)
SMILESCN1CCN(C2CCN(C(=O)NC3=NC=CC(OC4=CC(F)=C(NC(=O)C5(C(=O)NC6=CC=C(F)C=C6)CC5)C=C4)=C3)CC2)CC1
MNX internals
InChI (mnx)InChI=1/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45) Image of MNXM105423
SMILES (mnx)[CH3:1][N:40]1[CH2:16][CH2:18][N:41]([CH:24]2[CH2:9][CH2:14][N:42]([C:32](=[N:39][C:29]3=[N:36][CH:13]=[CH:8][C:26]([O:46][C:25]4=[CH:20][C:27]([F:35])=[C:28]([N:38]=[C:31]([C:33]5([C:30]([NH:37][C:23]6=[CH:5][CH:3]=[C:22]([F:34])[CH:2]=[CH:4]6)=[O:43])[CH2:11][CH2:12]5)[OH:44])[CH:7]=[CH:6]4)=[CH:21]3)[OH:45])[CH2:15][CH2:10]2)[CH2:19][CH2:17]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:177746
chebi:177746
UQRCJCNVNUFYDX-UHFFFAOYSA-N 		Golvatinib
1-N'-[2-luoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-1-N-(4-luorophenyl)cyclopropane-1,1-dicarboxamide

kegg.drug:D10224
keggD:D10224
UQRCJCNVNUFYDX-UHFFFAOYSA-N 		Golvatinib (USAN)
hmdb:HMDB0252909
UQRCJCNVNUFYDX-UHFFFAOYSA-N 		Golvatinib
N'1-[2-fluoro-4-({2-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonylamino]pyridin-4-yl}oxy)phenyl]-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
N'1-{2-fluoro-4-[(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
N-(2-fluoro-4-((2-(4-(4-Methylpiperazin-1-yl)piperidin-1-yl)carbonylaminopyridin-4-yl)oxy)phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
e-7050E7050
e7050 CPD

keggD:M_D10224 		secondary/obsolete/fantasy identifier