General Information of the Compound
| Compound ID |
CP0417571
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| Compound Name |
N-cyclohexyl-2-(5-methyl-4-oxo-3-phenylpyrimido[5,4-b]indol-2-yl)sulfonylacetamide
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| Structure |
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| Formula |
C25H26N4O4S
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| Molecular Weight |
478.574
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| Canonical SMILES |
Cn1c2ccccc2c2nc(n(-c3ccccc3)c(=O)c12)S(=O)(=O)CC(=O)NC1CCCCC1
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| InChI |
InChI=1S/C25H26N4O4S/c1-28-20-15-9-8-14-19(20)22-23(28)24(31)29(18-12-6-3-7-13-18)25(27-22)34(32,33)16-21(30)26-17-10-4-2-5-11-17/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,26,30)
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| InChIKey |
FRQICOZHSYSAJD-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