General Information of the Compound
| Compound ID |
CP0516672
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| Compound Name |
US8853203, 101
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| Structure |
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| Formula |
C21H19N5O2S
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| Molecular Weight |
405.483
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| Canonical SMILES |
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cscn1
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| InChI |
InChI=1S/C21H19N5O2S/c1-28-10-14-9-25(12-23-14)20-7-19-17-4-2-3-16(18-11-29-13-24-18)15(17)5-6-26(19)21(27)8-22-20/h2-4,7,9,11-13H,5-6,8,10H2,1H3
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| InChIKey |
XBBUCIGUYRSUSC-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