General Information of the Compound
| Compound ID |
CP0474221
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| Compound Name |
US8853203, 23
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
Cc1ccc(o1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1
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| InChI |
InChI=1S/C22H23N3O3/c1-15-5-6-21(28-15)18-13-20-16-3-2-4-19(24-9-11-27-12-10-24)17(16)7-8-25(20)22(26)14-23-18/h2-6,13H,7-12,14H2,1H3
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| InChIKey |
ZKHAJHXLQJFKPD-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