General Information of the Compound
| Compound ID |
CP0545681
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| Compound Name |
US8853203, 52
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| Structure |
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| Formula |
C23H19N5O2
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| Molecular Weight |
397.438
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| Canonical SMILES |
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3cnccn3)C2=C1
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| InChI |
InChI=1S/C23H19N5O2/c1-30-22-11-15(5-7-26-22)19-12-21-18-4-2-3-17(20-13-24-8-9-25-20)16(18)6-10-28(21)23(29)14-27-19/h2-5,7-9,11-13H,6,10,14H2,1H3
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| InChIKey |
JGAJVWHCNOJRCV-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