General Information of the Compound
| Compound ID |
CP0474516
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| Compound Name |
US8853203, 69
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| Structure |
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| Formula |
C23H22N6O
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| Molecular Weight |
398.47
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| Canonical SMILES |
O=C1CN=C(C=C2N1CCc1c2cccc1-n1cccn1)n1cnc(c1)C1CCC1
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| InChI |
InChI=1S/C23H22N6O/c30-23-13-24-22(27-14-19(25-15-27)16-4-1-5-16)12-21-17-6-2-7-20(29-10-3-9-26-29)18(17)8-11-28(21)23/h2-3,6-7,9-10,12,14-16H,1,4-5,8,11,13H2
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| InChIKey |
KTFXSXTXQMPJMO-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