General Information of the Compound
| Compound ID |
CP0403650
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| Compound Name |
US8853203, 106a
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| Structure |
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| Formula |
C25H22FN5O2
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| Molecular Weight |
443.482
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| Canonical SMILES |
COC1(CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1
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| InChI |
InChI=1S/C25H22FN5O2/c1-33-25(8-9-25)21-14-30(15-29-21)23-11-20-19-4-2-3-17(16-5-6-22(26)27-12-16)18(19)7-10-31(20)24(32)13-28-23/h2-6,11-12,14-15H,7-10,13H2,1H3
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| InChIKey |
HWFIZNADZOTYAB-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