General Information of the Compound
| Compound ID |
CP0378186
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| Compound Name |
N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]butanamide
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| Structure |
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| Formula |
C16H15N3OS2
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| Molecular Weight |
329.45
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| Canonical SMILES |
CCCC(=O)Nc1nc(cc(n1)-c1ccsc1)-c1ccsc1
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| InChI |
InChI=1S/C16H15N3OS2/c1-2-3-15(20)19-16-17-13(11-4-6-21-9-11)8-14(18-16)12-5-7-22-10-12/h4-10H,2-3H2,1H3,(H,17,18,19,20)
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| InChIKey |
NZYDYXKPYLFEMZ-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