General Information of the Compound
| Compound ID |
CP0162027
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| Compound Name |
4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophenyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C23H16FN5O
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| Molecular Weight |
397.413
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| Canonical SMILES |
Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1
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| InChI |
InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)
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| InChIKey |
KQAQQTRQYSXKHD-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: PT03263, Metabotropic glutamate receptor 3