General Information of the Compound
| Compound ID |
CP0468345
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| Compound Name |
2-amino-8-fluoro-N-(2-pyridin-2-ylethyl)quinazoline-4-carboxamide
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| Structure |
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| Formula |
C16H14FN5O
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| Molecular Weight |
311.32
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| Canonical SMILES |
Nc1nc(C(=O)NCCc2ccccn2)c2cccc(F)c2n1
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| InChI |
InChI=1S/C16H14FN5O/c17-12-6-3-5-11-13(12)21-16(18)22-14(11)15(23)20-9-7-10-4-1-2-8-19-10/h1-6,8H,7,9H2,(H,20,23)(H2,18,21,22)
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| InChIKey |
OWTHFOIINWQHDP-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