General Information of the Compound
| Compound ID |
CP0238281
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| Compound Name |
N-cyclohexyl-2-(5-methyl-4-oxo-3-phenylpyrrolo[3,2-d]pyrimidin-2-yl)sulfanylacetamide
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| Structure |
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| Formula |
C21H24N4O2S
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| Molecular Weight |
396.516
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| Canonical SMILES |
Cn1ccc2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C21H24N4O2S/c1-24-13-12-17-19(24)20(27)25(16-10-6-3-7-11-16)21(23-17)28-14-18(26)22-15-8-4-2-5-9-15/h3,6-7,10-13,15H,2,4-5,8-9,14H2,1H3,(H,22,26)
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| InChIKey |
RAVNGLZZCRUFSP-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: PT03343, Toll-like receptor 4
Protein ID: PT03041, Toll-like receptor 4