General Information of the Compound
| Compound ID |
CP0442962
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| Compound Name |
US8853203, 117
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
CC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1
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| InChI |
InChI=1S/C22H22N4O2/c1-14(27)16-6-3-7-18-17(16)8-9-26-20(18)10-21(23-11-22(26)28)25-12-19(24-13-25)15-4-2-5-15/h3,6-7,10,12-13,15H,2,4-5,8-9,11H2,1H3
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| InChIKey |
VPOBZVBTTIDGGK-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