General Information of the Compound
| Compound ID |
CP0544817
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| Compound Name |
2-(pyridin-2-ylmethylsulfanyl)pyrido[1,2-a]pyrimidin-4-one
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| Structure |
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| Formula |
C14H11N3OS
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| Molecular Weight |
269.329
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| Canonical SMILES |
O=c1cc(SCc2ccccn2)nc2ccccn12
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| InChI |
InChI=1S/C14H11N3OS/c18-14-9-13(16-12-6-2-4-8-17(12)14)19-10-11-5-1-3-7-15-11/h1-9H,10H2
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| InChIKey |
BPQHMBSDSOMOQL-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: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT00854, Metabotropic glutamate receptor 5