General Information of the Compound
| Compound ID |
CP0461821
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| Compound Name |
N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutanamide
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| Synonyms |
820961-45-3
AKOS030569392
BDBM50157665
Butanamide, N-(2,6-diphenyl-4-pyrimidinyl)-3-methyl-
CHEMBL387322
CTK3E2658
DTXSID90471528
N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide
SCHEMBL4829224
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| Structure |
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| Formula |
C21H21N3O
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| Molecular Weight |
331.419
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| Canonical SMILES |
CC(C)CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C21H21N3O/c1-15(2)13-20(25)23-19-14-18(16-9-5-3-6-10-16)22-21(24-19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,22,23,24,25)
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| InChIKey |
LUPWFOJGRCESTC-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
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound