General Information of the Compound
| Compound ID |
CP0546871
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| Compound Name |
US8853203, 92
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| Synonyms |
Diazepinone derivative 5
PMID28067079-Compound-91
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| Structure |
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| Formula |
C20H21N5O
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| Molecular Weight |
347.422
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| Canonical SMILES |
Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1
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| InChI |
InChI=1S/C20H21N5O/c1-13-22-12-25(23-13)19-10-18-17-7-3-6-15(14-4-2-5-14)16(17)8-9-24(18)20(26)11-21-19/h3,6-7,10,12,14H,2,4-5,8-9,11H2,1H3
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| InChIKey |
DDWMQMPXDUENHH-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