General Information of the Compound
| Compound ID |
CP0440560
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| Compound Name |
US8853203, 138
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| Structure |
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| Formula |
C21H19N7O
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| Molecular Weight |
385.431
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| Canonical SMILES |
O=C1CN=C(C=C2N1CCc1c2cccc1-n1nccn1)n1cnc(c1)C1CC1
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| InChI |
InChI=1S/C21H19N7O/c29-21-11-22-20(26-12-17(23-13-26)14-4-5-14)10-19-15-2-1-3-18(28-24-7-8-25-28)16(15)6-9-27(19)21/h1-3,7-8,10,12-14H,4-6,9,11H2
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| InChIKey |
SVHKPEJITHDSLI-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