General Information of the Compound
| Compound ID |
CP0429725
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| Compound Name |
US8853203, 102
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| Structure |
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| Formula |
C22H19FN6O
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| Molecular Weight |
402.433
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| Canonical SMILES |
CCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1
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| InChI |
InChI=1S/C22H19FN6O/c1-2-20-26-13-29(27-20)21-10-18-17-5-3-4-15(14-6-7-19(23)24-11-14)16(17)8-9-28(18)22(30)12-25-21/h3-7,10-11,13H,2,8-9,12H2,1H3
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| InChIKey |
TYNJJSYEYSSCMU-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