General Information of the Compound
| Compound ID |
CP0446699
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| Compound Name |
5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine
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| Structure |
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| Formula |
C17H14ClN3O
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| Molecular Weight |
311.772
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| Canonical SMILES |
COc1ccc(cc1Cl)-c1cnc(N)nc1-c1ccccc1
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| InChI |
InChI=1S/C17H14ClN3O/c1-22-15-8-7-12(9-14(15)18)13-10-20-17(19)21-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21)
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| InChIKey |
LMPRHUFFZGFNHF-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