General Information of the Compound
| Compound ID |
CP0466677
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| Compound Name |
US8853203, 88d
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| Structure |
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| Formula |
C22H19N5OS
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| Molecular Weight |
401.495
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| Canonical SMILES |
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cncs1)n1cnc(c1)C1CC1
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| InChI |
InChI=1S/C22H19N5OS/c28-22-10-24-21(26-11-18(25-12-26)14-4-5-14)8-19-16-2-1-3-17(20-9-23-13-29-20)15(16)6-7-27(19)22/h1-3,8-9,11-14H,4-7,10H2
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| InChIKey |
JEVQKQPQVOOHMD-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