General Information of the Compound
| Compound ID |
CP0550374
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| Compound Name |
US8853203, 99n
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| Structure |
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| Formula |
C22H23FN4O2
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| Molecular Weight |
394.45
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| Canonical SMILES |
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1
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| InChI |
InChI=1S/C22H23FN4O2/c1-13(29-2)18-11-26(12-25-18)20-9-19-15-5-6-17(23)22(14-3-4-14)16(15)7-8-27(19)21(28)10-24-20/h5-6,9,11-14H,3-4,7-8,10H2,1-2H3/t13-/m1/s1
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| InChIKey |
UGPTWQKBGHJFKJ-CYBMUJFWSA-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