General Information of the Compound
| Compound ID |
CP0415245
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| Compound Name |
US8853203, 106
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| Structure |
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| Formula |
C24H17FN6O2
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| Molecular Weight |
440.438
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| Canonical SMILES |
Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)-c1ncco1
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| InChI |
InChI=1S/C24H17FN6O2/c25-23-18(5-2-7-26-23)15-3-1-4-17-16(15)6-9-31-20(17)11-21(28-12-22(31)32)30-13-19(29-14-30)24-27-8-10-33-24/h1-5,7-8,10-11,13-14H,6,9,12H2
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| InChIKey |
HPVBPQOQGYEGKT-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