General Information of the Compound
| Compound ID |
CP0406959
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| Compound Name |
US8853203, 40
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| Structure |
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| Formula |
C18H15N5O
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| Molecular Weight |
317.352
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| Canonical SMILES |
Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C#N
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| InChI |
InChI=1S/C18H15N5O/c1-22-7-6-15(21-22)16-9-17-14-4-2-3-12(10-19)13(14)5-8-23(17)18(24)11-20-16/h2-4,6-7,9H,5,8,11H2,1H3
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| InChIKey |
UGPSKGCPOSSSRI-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5