General Information of the Compound
| Compound ID |
CP0488396
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| Compound Name |
US8853203, 5
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| Synonyms |
Diazepinone derivative 3
PMID28067079-Compound-86
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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 |
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1
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| InChI |
InChI=1S/C18H16N2O2S/c1-22-16-5-2-4-12-13(16)7-8-20-15(12)10-14(19-11-18(20)21)17-6-3-9-23-17/h2-6,9-10H,7-8,11H2,1H3
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| InChIKey |
ZCPJZMIIRATEAI-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