General Information of the Compound
| Compound ID |
CP0392905
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| Compound Name |
(2R)-2-phenylsulfanyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
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| Structure |
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| Formula |
C17H16N4OS
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| Molecular Weight |
324.409
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| Canonical SMILES |
C[C@@H](Sc1ccccc1)C(=O)Nc1nnc([nH]1)-c1ccccc1
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| InChI |
InChI=1S/C17H16N4OS/c1-12(23-14-10-6-3-7-11-14)16(22)19-17-18-15(20-21-17)13-8-4-2-5-9-13/h2-12H,1H3,(H2,18,19,20,21,22)/t12-/m1/s1
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| InChIKey |
SIEKMMVTGNLKTQ-GFCCVEGCSA-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