General Information of the Compound
| Compound ID |
CP0472505
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| Compound Name |
US8853203, 142
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| Structure |
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| Formula |
C21H24N4O3
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| Molecular Weight |
380.448
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| Canonical SMILES |
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(OC(C)C)cccc3C2=C1
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| InChI |
InChI=1S/C21H24N4O3/c1-14(2)28-19-6-4-5-16-17(19)7-8-25-18(16)9-20(22-10-21(25)26)24-11-15(12-27-3)23-13-24/h4-6,9,11,13-14H,7-8,10,12H2,1-3H3
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| InChIKey |
VXQMOZQQXGGBOS-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