General Information of the Compound
| Compound ID |
CP0509243
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| Compound Name |
US8853203, 125
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| Structure |
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| Formula |
C22H26N4O2
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| Molecular Weight |
378.476
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| Canonical SMILES |
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)C)C2=C1
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| InChI |
InChI=1S/C22H26N4O2/c1-22(2,3)18-7-5-6-17-16(18)8-9-26-19(17)10-20(23-11-21(26)27)25-12-15(13-28-4)24-14-25/h5-7,10,12,14H,8-9,11,13H2,1-4H3
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| InChIKey |
NNAQSFPNKRJTCE-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