General Information of the Compound
| Compound ID |
CP0480945
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| Compound Name |
US8853203, 21
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| Structure |
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccnc(c1)N(C)C
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| InChI |
InChI=1S/C21H22N4O2/c1-24(2)20-11-14(7-9-22-20)17-12-18-15-5-4-6-19(27-3)16(15)8-10-25(18)21(26)13-23-17/h4-7,9,11-12H,8,10,13H2,1-3H3
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| InChIKey |
HJEGPJHAJJGFFI-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