General Information of the Compound
| Compound ID |
CP0470049
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| Compound Name |
US8853203, 42
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| Structure |
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| Formula |
C22H22N6O
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| Molecular Weight |
386.459
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| Canonical SMILES |
CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(cccc3-n3cccn3)C2=C1
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| InChI |
InChI=1S/C22H22N6O/c1-15(2)28-14-16(12-25-28)19-11-21-17-5-3-6-20(27-9-4-8-24-27)18(17)7-10-26(21)22(29)13-23-19/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3
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| InChIKey |
BQUBBDZDEOJEQD-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