General Information of the Compound
| Compound ID |
CP0487184
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| Compound Name |
US8853203, 66
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| Structure |
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| Formula |
C18H15IN4O3
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| Molecular Weight |
462.247
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| Canonical SMILES |
COC(=O)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1
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| InChI |
InChI=1S/C18H15IN4O3/c1-26-18(25)14-9-22(10-21-14)16-7-15-12-3-2-4-13(19)11(12)5-6-23(15)17(24)8-20-16/h2-4,7,9-10H,5-6,8H2,1H3
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| InChIKey |
KFYGRPZJQWLVBV-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