General Information of the Compound
| Compound ID |
CP0448702
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| Compound Name |
N-cyclohexyl-2-[(4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
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| Structure |
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| Formula |
C20H22N4O2S
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| Molecular Weight |
382.489
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| Canonical SMILES |
O=C(CSc1nc2cc[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1
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| InChI |
InChI=1S/C20H22N4O2S/c25-17(22-14-7-3-1-4-8-14)13-27-20-23-16-11-12-21-18(16)19(26)24(20)15-9-5-2-6-10-15/h2,5-6,9-12,14,21H,1,3-4,7-8,13H2,(H,22,25)
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| InChIKey |
AZKBRTUKQJPDCK-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