General Information of the Compound
| Compound ID |
CP0403491
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| Compound Name |
US8853203, 112
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
CC(C)(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1
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| InChI |
InChI=1S/C24H28N4O2/c1-24(2,3)21-14-27(15-26-21)22-12-19-17-6-4-7-18(20-8-5-11-30-20)16(17)9-10-28(19)23(29)13-25-22/h4,6-7,12,14-15,20H,5,8-11,13H2,1-3H3
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| InChIKey |
YJOORSSCXKACPB-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