General Information of the Compound
| Compound ID |
CP0453613
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| Compound Name |
2-amino-4-phenylpyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C11H8N4
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| Molecular Weight |
196.213
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| Canonical SMILES |
Nc1ncc(C#N)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C11H8N4/c12-6-9-7-14-11(13)15-10(9)8-4-2-1-3-5-8/h1-5,7H,(H2,13,14,15)
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| InChIKey |
JYBNISLZUQBVIK-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