General Information of the Compound
| Compound ID |
CP0547638
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| Compound Name |
US8853203, 76
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| Structure |
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| Formula |
C22H21N5O2S
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| Molecular Weight |
419.51
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| Canonical SMILES |
COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cscn1
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| InChI |
InChI=1S/C22H21N5O2S/c1-29-8-6-15-11-26(13-24-15)21-9-20-18-4-2-3-17(19-12-30-14-25-19)16(18)5-7-27(20)22(28)10-23-21/h2-4,9,11-14H,5-8,10H2,1H3
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| InChIKey |
QASDDSCZUCQSAM-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