General Information of the Compound
| Compound ID |
CP0527411
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| Compound Name |
US8853203, 98
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| Structure |
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| Formula |
C25H22FN5O
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| Molecular Weight |
427.483
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| Canonical SMILES |
Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1
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| InChI |
InChI=1S/C25H22FN5O/c26-25-20(8-3-10-27-25)17-6-2-7-19-18(17)9-11-31-22(19)12-23(28-13-24(31)32)30-14-21(29-15-30)16-4-1-5-16/h2-3,6-8,10,12,14-16H,1,4-5,9,11,13H2
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| InChIKey |
IWSHCMVSVZSTRY-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