General Information of the Compound
| Compound ID |
CP0283393
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| Compound Name |
Basimglurant
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| Synonyms |
Antidepressant (oral), Hoffmann-La Roche
MGluR5 antagonist (depression/fragile X syndrome, oral), Roche
RG-7090
RO-4917523
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| Structure |
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| Formula |
C18H13ClFN3
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| Molecular Weight |
325.774
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| Canonical SMILES |
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3
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| InChIKey |
UPZWINBEAHDTLA-UHFFFAOYSA-N
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| CAS |
802906-73-6
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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
Clinical Information about the Compound