General Information of the Compound
| Compound ID |
CP0442549
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| Compound Name |
US8853203, 90
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| Structure |
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| Formula |
C20H24N4O
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| Molecular Weight |
336.439
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| Canonical SMILES |
CCCc1cccc2C3=CC(NCC(=O)N3CCc12)n1cnc(C)c1
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| InChI |
InChI=1S/C20H24N4O/c1-3-5-15-6-4-7-17-16(15)8-9-24-18(17)10-19(21-11-20(24)25)23-12-14(2)22-13-23/h4,6-7,10,12-13,19,21H,3,5,8-9,11H2,1-2H3
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| InChIKey |
ZREKQGANSVVZCG-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