General Information of the Compound
| Compound ID |
CP0450035
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| Compound Name |
US8853203, 133
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| Structure |
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| Formula |
C25H23N5O
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| Molecular Weight |
409.493
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| Canonical SMILES |
Cc1ccc(nc1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
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| InChI |
InChI=1S/C25H23N5O/c1-16-5-8-21(26-12-16)19-3-2-4-20-18(19)9-10-30-23(20)11-24(27-13-25(30)31)29-14-22(28-15-29)17-6-7-17/h2-5,8,11-12,14-15,17H,6-7,9-10,13H2,1H3
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| InChIKey |
ZAZKOYPCZNZCED-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