General Information of the Compound
| Compound ID |
CP0507787
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| Compound Name |
4-(2-amino-4-phenylpyrimidin-5-yl)-2-chlorophenol
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| Structure |
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| Formula |
C16H12ClN3O
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| Molecular Weight |
297.745
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| Canonical SMILES |
Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C16H12ClN3O/c17-13-8-11(6-7-14(13)21)12-9-19-16(18)20-15(12)10-4-2-1-3-5-10/h1-9,21H,(H2,18,19,20)
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| InChIKey |
DVCQZPDLPAZRBU-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