General Information of the Compound
| Compound ID |
CP0492678
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| Compound Name |
US8853203, 34
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| Structure |
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| Formula |
C17H13IN2O2
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| Molecular Weight |
404.207
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| Canonical SMILES |
Ic1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccoc1
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| InChI |
InChI=1S/C17H13IN2O2/c18-14-3-1-2-13-12(14)4-6-20-16(13)8-15(19-9-17(20)21)11-5-7-22-10-11/h1-3,5,7-8,10H,4,6,9H2
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| InChIKey |
NZPDJEQFQMMJCR-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