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erlotinib
A quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions.


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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 enzyme inhibitor [CHEBI:23924] (825) 
 protein kinase inhibitor [CHEBI:37699] (69) 
 erlotinib [CHEBI:114785] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 erlotinib [CHEBI:114785] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinazolines [CHEBI:38530] (18) 
 erlotinib [CHEBI:114785] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinazolines [CHEBI:38530] (18) 
 erlotinib [CHEBI:114785] (1)
 acetylenic compound [CHEBI:73474] (106) 
 terminal acetylenic compound [CHEBI:73477] (54) 
 erlotinib [CHEBI:114785] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 polycyclic compound [CHEBI:33635] (4078) 
 heteropolycyclic compound [CHEBI:33671] (2613) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinazolines [CHEBI:38530] (18) 
 erlotinib [CHEBI:114785] (1)
 bicyclic compound [CHEBI:33636] (1511) 
 heterobicyclic compound [CHEBI:33672] (1315) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinazolines [CHEBI:38530] (18) 
 erlotinib [CHEBI:114785] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinazolines [CHEBI:38530] (18) 
 erlotinib [CHEBI:114785] (1)
 heterocyclic compound [CHEBI:5686] (5275) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinazolines [CHEBI:38530] (18) 
 erlotinib [CHEBI:114785] (1)
 heteropolycyclic compound [CHEBI:33671] (2613) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinazolines [CHEBI:38530] (18) 
 erlotinib [CHEBI:114785] (1)
 heterobicyclic compound [CHEBI:33672] (1315) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinazolines [CHEBI:38530] (18) 
 erlotinib [CHEBI:114785] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organic heteropolycyclic compound [CHEBI:38166] (2613) 
 organic heterobicyclic compound [CHEBI:27171] (1315) 
 quinazolines [CHEBI:38530] (18) 
 erlotinib [CHEBI:114785] (1)
 acetylenic compound [CHEBI:73474] (106) 
 terminal acetylenic compound [CHEBI:73477] (54) 
 erlotinib [CHEBI:114785] (1)
ChEBI Compound Accession Identifier  [CHEBI:114785]
ChEBI Compound Description  A quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions.
ChEBI Compound Identification Number  114785
ChEBI InChI Value  InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
ChEBI InChIKey Value  AAKJLRGGTJKAMG-UHFFFAOYSA-N
ChEBI Compound Name  erlotinib
ChEBI SMILES Value  COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
ChEBI Substance ID  87350514
ChEBI URL  ChEBI:114785
ChemSpider ID  154044
Ontomatica Chemical Accession Key (OnChAKey)  AAKJLRGGTJKAMG_UHFFFAOYSA_N_000_000000
PubChem Compound ID  176870