General Information of the Compound
| Compound ID |
CP0497721
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| Compound Name |
2-amino-8-fluoro-N-(2-phenylethyl)quinazoline-4-carboxamide
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| Structure |
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| Formula |
C17H15FN4O
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| Molecular Weight |
310.332
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| Canonical SMILES |
Nc1nc(C(=O)NCCc2ccccc2)c2cccc(F)c2n1
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| InChI |
InChI=1S/C17H15FN4O/c18-13-8-4-7-12-14(13)21-17(19)22-15(12)16(23)20-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,23)(H2,19,21,22)
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| InChIKey |
LIVASSWTJBJKEA-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a