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ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_49603
http://purl.obolibrary.org/obo/CHEBI_49603
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_49603
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Preferred name
lapatinib
Synonyms
N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine
Tykerb
GW 572016
N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE
N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-[5-({[2-(methanesulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:49602
CHEBI:38636
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_35610
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http://purl.obolibrary.org/obo/CHEBI_38637
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oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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obo_purl:smiles
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
obo_purl:charge
0
obo_purl:inchikey
BCFGMOOMADDAQU-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_35610
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http://purl.obolibrary.org/obo/CHEBI_38637
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oboinowl_gen:hasDbXref
PDBeChem:FMM
CAS:231277-92-2
LINCS:LSM-1051
DrugBank:DB01259
Wikipedia:Lapatinib
Drug_Central:1548
Beilstein:10502247
skos:notation
CHEBI:49603
oboinowl_gen:hasExactSynonym
N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-[5-({[2-(methanesulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine
obo_purl:mass
581.05840
obo_purl:inchi
InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_5115
Loading
obo_purl:formula
C29H26ClFN4O4S
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
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oboinowl_gen:hasRelatedSynonym
N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine
Tykerb
GW 572016
N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE
oboinowl_gen:id
CHEBI:49603
rdfs:label
lapatinib
obo_purl:monoisotopicmass
580.13473
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_38530
Loading
http://purl.obolibrary.org/obo/CHEBI_36683
Loading
http://purl.obolibrary.org/obo/CHEBI_24129
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http://purl.obolibrary.org/obo/CHEBI_37143
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