RBS

N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE

Created:2006-08-02
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count17
2D diagram of RBS

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Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE
Systematic Name (OpenEye OEToolkits)N-(4-phenylazanylquinazolin-6-yl)prop-2-enamide
FormulaC17 H14 N4 O
Molecular Weight290.319
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(/C=C)Nc3cc1c(ncnc1Nc2ccccc2)cc3
SMILESCACTVS3.341C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1
SMILESOpenEye OEToolkits1.5.0C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3
Canonical SMILESCACTVS3.341 C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1
Canonical SMILESOpenEye OEToolkits1.5.0 C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3
InChIInChI1.03 InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)
InChIKeyInChI1.03 JGWHILNNHLDARR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08462 
NameN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE
Groups experimental
SynonymsN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Epidermal growth factor receptorMRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLS...unknowninhibitor
Proto-oncogene tyrosine-protein kinase SrcMGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGP...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL1221699
PubChem 10401956
ChEMBL CHEMBL1221699