General Information of the Compound
| Compound ID |
CP0410537
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| Compound Name |
US8853203, 88b
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| Structure |
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| Formula |
C22H18FN7O
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| Molecular Weight |
415.432
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| Canonical SMILES |
Fc1nccnc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1
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| InChI |
InChI=1S/C22H18FN7O/c23-21-20(24-7-8-25-21)16-3-1-2-15-14(16)6-9-29-17(15)10-18(26-11-19(29)31)30-12-27-22(28-30)13-4-5-13/h1-3,7-8,10,12-13H,4-6,9,11H2
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| InChIKey |
BQZQFDZRXQZAGE-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5