General Information of the Compound
| Compound ID |
CP0545682
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| Compound Name |
US8853203, 68
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| Structure |
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| Formula |
C19H17IN4O3
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| Molecular Weight |
476.274
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| Canonical SMILES |
CCOC(=O)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1
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| InChI |
InChI=1S/C19H17IN4O3/c1-2-27-19(26)15-10-23(11-22-15)17-8-16-13-4-3-5-14(20)12(13)6-7-24(16)18(25)9-21-17/h3-5,8,10-11H,2,6-7,9H2,1H3
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| InChIKey |
WZBQCVASVHWREM-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