General Information of the Compound
| Compound ID |
CP0123982
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| Compound Name |
4-chloro-N-(5-cyano-4,6-diphenylpyrimidin-2-yl)benzamide
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| Structure |
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| Formula |
C24H15ClN4O
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| Molecular Weight |
410.864
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C24H15ClN4O/c25-19-13-11-18(12-14-19)23(30)29-24-27-21(16-7-3-1-4-8-16)20(15-26)22(28-24)17-9-5-2-6-10-17/h1-14H,(H,27,28,29,30)
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| InChIKey |
GRVCQAFWQOGHEB-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