General Information of the Compound
| Compound ID |
CP0538928
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| Compound Name |
US8853203, 53
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| Synonyms |
Diazepinone derivative 4
PMID28067079-Compound-87
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| Structure |
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| Formula |
C24H19FN4O2
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| Molecular Weight |
414.44
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| Canonical SMILES |
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1
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| InChI |
InChI=1S/C24H19FN4O2/c1-31-23-11-15(7-9-26-23)20-12-21-19-4-2-3-17(16-5-6-22(25)28-13-16)18(19)8-10-29(21)24(30)14-27-20/h2-7,9,11-13H,8,10,14H2,1H3
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| InChIKey |
GISRGWUSGUAUMX-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