General Information of the Compound
| Compound ID |
CP0544783
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| Compound Name |
US8853203, 123f
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| Structure |
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| Formula |
C24H21N5O
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| Molecular Weight |
395.466
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| Canonical SMILES |
O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccncc1
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| InChI |
InChI=1S/C24H21N5O/c30-24-13-26-23(28-14-21(27-15-28)17-6-9-25-10-7-17)12-22-20-3-1-2-18(16-4-5-16)19(20)8-11-29(22)24/h1-3,6-7,9-10,12,14-16H,4-5,8,11,13H2
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| InChIKey |
QTDFGJQBWXLAFI-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