General Information of the Compound
| Compound ID |
CP0420482
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| Compound Name |
US8853203, 108a
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| Structure |
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| Formula |
C22H20N6O2
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| Molecular Weight |
400.442
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| Canonical SMILES |
Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1
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| InChI |
InChI=1S/C22H20N6O2/c1-13-25-18(11-30-13)16-3-2-4-17-15(16)7-8-27-19(17)9-20(23-10-21(27)29)28-12-24-22(26-28)14-5-6-14/h2-4,9,11-12,14H,5-8,10H2,1H3
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| InChIKey |
GDDLQXVWJDDCBC-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