General Information of the Compound
| Compound ID |
CP0464069
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| Compound Name |
US8853203, 7
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| Synonyms |
Diazepinone derivative 1
PMID28067079-Compound-84
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| Structure |
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| Formula |
C19H18N2O3
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| Molecular Weight |
322.364
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| Canonical SMILES |
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccc(C)o1
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| InChI |
InChI=1S/C19H18N2O3/c1-12-6-7-18(24-12)15-10-16-13-4-3-5-17(23-2)14(13)8-9-21(16)19(22)11-20-15/h3-7,10H,8-9,11H2,1-2H3
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| InChIKey |
JTMQTEDUASKITJ-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
Clinical Information about the Compound