General Information of the Compound
| Compound ID |
CP0232347
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| Compound Name |
7-ethoxy-4-(3-(2-methylpyridin-4-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C24H20F3N3O2
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| Molecular Weight |
439.437
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| Canonical SMILES |
CCOc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(C)c1
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| InChI |
InChI=1S/C24H20F3N3O2/c1-3-32-22-12-21-20(11-18(22)24(25,26)27)30-23(31)13-19(29-21)17-6-4-5-15(10-17)16-7-8-28-14(2)9-16/h4-12H,3,13H2,1-2H3,(H,30,31)
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| InChIKey |
XXIAOXVQWLJIRI-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: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT03263, Metabotropic glutamate receptor 3