General Information of the Compound
| Compound ID |
CP0237670
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| Compound Name |
4-(3-(pyridin-4-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C21H14F3N3O
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| Molecular Weight |
381.357
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| Canonical SMILES |
FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1ccncc1
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| InChI |
InChI=1S/C21H14F3N3O/c22-21(23,24)16-4-5-17-19(11-16)27-20(28)12-18(26-17)15-3-1-2-14(10-15)13-6-8-25-9-7-13/h1-11H,12H2,(H,27,28)
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| InChIKey |
JYTRCRINABXASK-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