General Information of the Compound
| Compound ID |
CP0411788
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| Compound Name |
5-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-2-isopropylisoindolin-1-one
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| Synonyms |
2-Isopropyl-5-[1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazole-4-yl]isoindoline-1-one
5-[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one
5-[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one864864-86-8
AKOS032944969
BDBM50301804
CHEMBL579062
CS-5849
DFMTI
GTPL6335
HY-100404
KKZVYGIANGOHBS-UHFFFAOYSA-N
KS-00001CM3
L023906
M-265
MK-5435
MolPort-044-724-496
SCHEMBL1500017
ZINC13983201
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| Structure |
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| Formula |
C20H18F2N4O
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| Molecular Weight |
368.387
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| Canonical SMILES |
CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C20H18F2N4O/c1-11(2)25-10-14-8-13(4-6-16(14)20(25)27)19-12(3)26(24-23-19)18-7-5-15(21)9-17(18)22/h4-9,11H,10H2,1-3H3
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| InChIKey |
KKZVYGIANGOHBS-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT02739, Metabotropic glutamate receptor 8
Clinical Information about the Compound