General Information of the Compound
| Compound ID |
CP0500382
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| Compound Name |
US8853203, 106c
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| Structure |
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| Formula |
C24H20FN5O3
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| Molecular Weight |
445.454
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| Canonical SMILES |
OC1(COC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1
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| InChI |
InChI=1S/C24H20FN5O3/c25-21-5-4-15(9-26-21)16-2-1-3-18-17(16)6-7-30-19(18)8-22(27-10-23(30)31)29-11-20(28-14-29)24(32)12-33-13-24/h1-5,8-9,11,14,32H,6-7,10,12-13H2
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| InChIKey |
ROPKMNXHDXXSTG-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