General Information of the Compound
| Compound ID |
CP0417558
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| Compound Name |
N-cyclohexyl-2-[5-methyl-4-oxo-3-phenyl-8-(2-trimethylsilylethynyl)pyrimido[5,4-b]indol-2-yl]sulfanylacetamide
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| Structure |
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| Formula |
C30H34N4O2SSi
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| Molecular Weight |
542.781
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| Canonical SMILES |
Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#C[Si](C)(C)C
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| InChI |
InChI=1S/C30H34N4O2SSi/c1-33-25-16-15-21(17-18-38(2,3)4)19-24(25)27-28(33)29(36)34(23-13-9-6-10-14-23)30(32-27)37-20-26(35)31-22-11-7-5-8-12-22/h6,9-10,13-16,19,22H,5,7-8,11-12,20H2,1-4H3,(H,31,35)
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| InChIKey |
LLVORZMBIPLKFP-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: PT03041, Toll-like receptor 4
Protein ID: PT03343, Toll-like receptor 4