General Information of the Compound
| Compound ID |
CP0450148
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| Compound Name |
US8853203, 64
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| Structure |
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| Formula |
C17H12IN5O
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| Molecular Weight |
429.221
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| Canonical SMILES |
Ic1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C#N
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| InChI |
InChI=1S/C17H12IN5O/c18-14-3-1-2-13-12(14)4-5-23-15(13)6-16(20-8-17(23)24)22-9-11(7-19)21-10-22/h1-3,6,9-10H,4-5,8H2
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| InChIKey |
ODYQDIALHWFOOJ-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