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tesevatinib

PropertiesImage
MNX_IDMNXM1128828 Image of MNXM1128828
referencechebi:167674
formulaC24H25Cl2FN4O2
global charge0
mol weight491.394
InChIKeyHVXKQKFEHMGHSL-QKDCVEJESA-N
InChIInChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13-,14-,15+
SMILESCOC1=C(OC[C@@H]2C[C@@H]3CN(C)C[C@@H]3C2)C=C2N=CN=C(NC3=C(F)C(Cl)=C(Cl)C=C3)C2=C1
MNX internals
InChI (mnx)InChI=1/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13-,14-,15+ Image of MNXM1128828
SMILES (mnx)[CH3:1][N:31]1[CH2:9][C@@H:14]2[CH2:5][C@H:13]([CH2:11][O:33][C:21]3=[C:20]([O:32][CH3:2])[CH:7]=[C:16]4[C:19](=[CH:8]3)[N:28]=[CH:12][N:29]=[C:24]4[NH:30][C:18]3=[C:23]([F:27])[C:22]([Cl:26])=[C:17]([Cl:25])[CH:3]=[CH:4]3)[CH2:6][C@@H:15]2[CH2:10]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

reactome:R-ALL-9646810
reactomeM:R-ALL-9646810
CHEBI:167674
chebi:167674
HVXKQKFEHMGHSL-QKDCVEJESA-N 		tesevatinib
7-{[(3aR,5R,6aS)-2-methyl-octahydrocyclopenta[c]pyrrol-5-yl]methoxy}-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
EXEL 7647
EXEL-7647
EXEL7647
KD 019
KD-019
KD019
N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}quinazolin-4-amine
XL 647
XL-647
XL647
tesevatinibum

kegg.drug:D11772
keggD:D11772
HVXKQKFEHMGHSL-QKDCVEJESA-N 		Tesevatinib (USAN/INN)
hmdb:HMDB0258851
HVXKQKFEHMGHSL-UHFFFAOYSA-N 		Tesevatinib
N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-({2-methyl-hexahydro-1H-cyclopenta[c]pyrrol-5-yl}methoxy)quinazolin-4-amine
N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-({2-methyl-octahydrocyclopenta[c]pyrrol-5-yl}methoxy)quinazolin-4-amine

keggD:M_D11772 		secondary/obsolete/fantasy identifier