General Information of the Compound
| Compound ID |
CP0183162
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| Compound Name |
(6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-phenyl)-amine
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| Structure |
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| Formula |
C18H15N3O2
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| Molecular Weight |
305.337
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OC
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| InChI |
InChI=1S/C18H15N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h1,5-11H,2-3H3,(H,19,20,21)
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| InChIKey |
XOTGKYTUNDYTBS-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: PT01920, Cyclin-G-associated kinase
Protein ID: PT00922, Epidermal growth factor receptor