General Information of the Compound
| Compound ID |
CP0303515
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| Compound Name |
N-cyclohexyl-2-[(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 |
C25H30N4O2S
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| Molecular Weight |
450.608
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| Canonical SMILES |
O=C(CSc1nc2c3CCCCCc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1
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| InChI |
InChI=1S/C25H30N4O2S/c30-21(26-17-10-4-1-5-11-17)16-32-25-28-22-19-14-8-3-9-15-20(19)27-23(22)24(31)29(25)18-12-6-2-7-13-18/h2,6-7,12-13,17,27H,1,3-5,8-11,14-16H2,(H,26,30)
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| InChIKey |
KUCIWYURUOCMSA-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