General Information of the Compound
| Compound ID |
CP0303517
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| Compound Name |
N-cyclohexyl-2-[(8-methyl-6-oxo-5-phenyl-3,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-trien-4-yl)sulfanyl]acetamide
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| Structure |
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| Formula |
C26H32N4O2S
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| Molecular Weight |
464.635
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| Canonical SMILES |
Cn1c2CCCCCc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C26H32N4O2S/c1-29-21-16-10-4-9-15-20(21)23-24(29)25(32)30(19-13-7-3-8-14-19)26(28-23)33-17-22(31)27-18-11-5-2-6-12-18/h3,7-8,13-14,18H,2,4-6,9-12,15-17H2,1H3,(H,27,31)
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| InChIKey |
FHRBISORQRCUON-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