General Information of the Compound
| Compound ID |
CP0497757
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| Compound Name |
US8853203, 140
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| Structure |
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| Formula |
C23H18F2N6O
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| Molecular Weight |
432.434
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| Canonical SMILES |
Fc1ccc2C3=CC(=NCC(=O)N3CCc2c1-c1cnc(F)nc1)n1cnc(c1)C1CC1
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| InChI |
InChI=1S/C23H18F2N6O/c24-17-4-3-15-16(22(17)14-8-27-23(25)28-9-14)5-6-31-19(15)7-20(26-10-21(31)32)30-11-18(29-12-30)13-1-2-13/h3-4,7-9,11-13H,1-2,5-6,10H2
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| InChIKey |
ISVRBGUBZGPZBA-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