General Information of the Compound
| Compound ID |
CP0124173
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| Compound Name |
4-anilinoquinazoline deriv. 1
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| Synonyms |
194423-06-8
B4W27J1Z8B
C18H13BrN4O
CHEBI:90180
CHEMBL91867
CL-387,785
CL-387785
CL-387785 (EKI-785)
CL-387785(EKI785
EKB-785
EKI-785
N-(4-((3-bromophenyl)amino)quinazolin-6-yl)but-2-ynamide
N-[4-[(3-Bromophenyl)amino]-6-quinazolinyl]-2-butynamide
N-[4-[(3-Bromophenyl)amino]quinazolin-6-yl]but-2-ynamide
N-[4-[(3-bromophenyl)amino]-6-quinazolinyl)-2-butynamide
N-{4-[(3-bromophenyl)amino]-6-quinazolinyl}-2-butynamide
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide
UNII-B4W27J1Z8B
WAY-EKI 785)
cl-387785
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| Structure |
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| Formula |
C18H13BrN4O
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| Molecular Weight |
381.233
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| Canonical SMILES |
CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23)
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| InChIKey |
BTYYWOYVBXILOJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT00922, Epidermal growth factor receptor
Clinical Information about the Compound