General Information of the Compound
| Compound ID |
CP0375632
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| Compound Name |
(4-Methoxyphenyl)(2-(methylamino)-4-phenylthiazol-5-yl)methanone
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| Structure |
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| Formula |
C18H16N2O2S
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| Molecular Weight |
324.405
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| Canonical SMILES |
CNc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
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| InChI |
InChI=1S/C18H16N2O2S/c1-19-18-20-15(12-6-4-3-5-7-12)17(23-18)16(21)13-8-10-14(22-2)11-9-13/h3-11H,1-2H3,(H,19,20)
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| InChIKey |
BGYXBDWCLAKHEF-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3