General Information of the Compound
| Compound ID |
CP0503960
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| Compound Name |
US8853203, 16
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| Structure |
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| Formula |
C21H17F3N2O2
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| Molecular Weight |
386.373
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| Canonical SMILES |
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H17F3N2O2/c1-28-19-7-3-6-15-16(19)8-9-26-18(15)11-17(25-12-20(26)27)13-4-2-5-14(10-13)21(22,23)24/h2-7,10-11H,8-9,12H2,1H3
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| InChIKey |
ZIXARPNPVJTVAV-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