General Information of the Compound
| Compound ID |
CP0434807
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| Compound Name |
US8853203, 88i
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| Structure |
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| Formula |
C23H23N5O2S
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| Molecular Weight |
433.537
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| Canonical SMILES |
CCOCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nc(C)cs1
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| InChI |
InChI=1S/C23H23N5O2S/c1-3-30-12-16-11-27(14-25-16)21-9-20-18-5-4-6-19(23-26-15(2)13-31-23)17(18)7-8-28(20)22(29)10-24-21/h4-6,9,11,13-14H,3,7-8,10,12H2,1-2H3
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| InChIKey |
PNGHTMBIJIFCGV-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