General Information of the Compound
| Compound ID |
CP0184258
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| Compound Name |
N-cyclohexyl-2-(5-methyl-8-naphthalen-1-yl-4-oxo-3-phenylpyrimido[5,4-b]indol-2-yl)sulfanylacetamide
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| Structure |
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| Formula |
C35H32N4O2S
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| Molecular Weight |
572.734
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| Canonical SMILES |
Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1cccc2ccccc12
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| InChI |
InChI=1S/C35H32N4O2S/c1-38-30-20-19-24(28-18-10-12-23-11-8-9-17-27(23)28)21-29(30)32-33(38)34(41)39(26-15-6-3-7-16-26)35(37-32)42-22-31(40)36-25-13-4-2-5-14-25/h3,6-12,15-21,25H,2,4-5,13-14,22H2,1H3,(H,36,40)
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| InChIKey |
NNGMOXBLNUTJGC-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