General Information of the Compound
| Compound ID |
CP0425309
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| Compound Name |
US8853203, 111
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| Structure |
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| Formula |
C22H24N4O2
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| Molecular Weight |
376.46
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| Canonical SMILES |
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1
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| InChI |
InChI=1S/C22H24N4O2/c1-2-15-13-25(14-24-15)21-11-19-17-5-3-6-18(20-7-4-10-28-20)16(17)8-9-26(19)22(27)12-23-21/h3,5-6,11,13-14,20H,2,4,7-10,12H2,1H3
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| InChIKey |
XHPHORVTVJLGEM-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