General Information of the Compound
| Compound ID |
CP0158029
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| Compound Name |
7-methyl-5-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
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| Synonyms |
1092453-15-0
6H81G454I7
7-Methyl-5-(3-piperazin-1-ylmethyl-(1,2,4)oxadiazol-5-yl)-2-(4-trifluoromethoxybenzyl)-2,3-dihydroisoindol-1-one
7-methyl-5-(3-piperazin-1-ylmethyl-[1,2,4]oxadiazol-5-yl)-2-(4-trifluoromethoxybenzyl)-2,3-dihydroisoindol-1-one
7-methyl-5-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
AZD 8529
AZD-8529
AZD8529
BDBM50194618
CHEMBL3937907
CS-0028525
GTPL7678
HY-107457
SCHEMBL2124540
UNII-6H81G454I7
ZINC43201296
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| Structure |
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| Formula |
C24H24F3N5O3
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| Molecular Weight |
487.482
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| Canonical SMILES |
Cc1cc(cc2CN(Cc3ccc(OC(F)(F)F)cc3)C(=O)c12)-c1nc(CN2CCNCC2)no1
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| InChI |
InChI=1S/C24H24F3N5O3/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27/h2-5,10-11,28H,6-9,12-14H2,1H3
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| InChIKey |
IPCYZQQFECEHLI-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: PT01748, Metabotropic glutamate receptor 2
Clinical Information about the Compound