General Information of the Compound
| Compound ID |
CP0448700
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| Compound Name |
N-cyclohexyl-2-(5,6,7-trimethyl-4-oxo-3-phenylpyrrolo[3,2-d]pyrimidin-2-yl)sulfanylacetamide
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| Structure |
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| Formula |
C23H28N4O2S
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| Molecular Weight |
424.57
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| Canonical SMILES |
Cc1c(C)c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c2n1C
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| InChI |
InChI=1S/C23H28N4O2S/c1-15-16(2)26(3)21-20(15)25-23(27(22(21)29)18-12-8-5-9-13-18)30-14-19(28)24-17-10-6-4-7-11-17/h5,8-9,12-13,17H,4,6-7,10-11,14H2,1-3H3,(H,24,28)
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| InChIKey |
NGRQHJQFWPAFCC-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