General Information of the Compound
| Compound ID |
CP0392534
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| Compound Name |
2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide
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| Structure |
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| Formula |
C20H16N4O
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| Molecular Weight |
328.375
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| Canonical SMILES |
Nc1cc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1
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| InChI |
InChI=1S/C20H16N4O/c21-18-11-16(15-8-1-2-9-17(15)24-18)20(25)23-12-14-6-3-5-13-7-4-10-22-19(13)14/h1-11H,12H2,(H2,21,24)(H,23,25)
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| InChIKey |
YFALKJSXAAGGLK-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