General Information of the Compound
| Compound ID |
CP0490422
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| Compound Name |
2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide
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| Structure |
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| Formula |
C20H16FN5O
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| Molecular Weight |
361.38
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| Canonical SMILES |
C[C@@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12
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| InChI |
InChI=1S/C20H16FN5O/c1-11(13-7-2-5-12-6-4-10-23-16(12)13)24-19(27)18-14-8-3-9-15(21)17(14)25-20(22)26-18/h2-11H,1H3,(H,24,27)(H2,22,25,26)/t11-/m1/s1
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| InChIKey |
SBXPUBIKBOERFX-LLVKDONJSA-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