General Information of the Compound
| Compound ID |
CP0462004
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| Compound Name |
US8853203, 119
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| Structure |
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| Formula |
C22H24N4O2
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| Molecular Weight |
376.46
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| Canonical SMILES |
CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C
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| InChI |
InChI=1S/C22H24N4O2/c1-14(2)16-6-5-7-18-17(16)8-9-26-20(18)10-21(23-11-22(26)27)25-12-19(24-13-25)15(3)28-4/h5-7,10,12-13,15H,1,8-9,11H2,2-4H3/t15-/m0/s1
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| InChIKey |
PIQQUZGHEORYDI-HNNXBMFYSA-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