General Information of the Compound
| Compound ID |
CP0184256
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| Compound Name |
N-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3-phenylpyrimido[5,4-b]indol-8-yl]benzamide
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| Structure |
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| Formula |
C32H31N5O3S
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| Molecular Weight |
565.699
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| Canonical SMILES |
Cn1c2ccc(NC(=O)c3ccccc3)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C32H31N5O3S/c1-36-26-18-17-23(34-30(39)21-11-5-2-6-12-21)19-25(26)28-29(36)31(40)37(24-15-9-4-10-16-24)32(35-28)41-20-27(38)33-22-13-7-3-8-14-22/h2,4-6,9-12,15-19,22H,3,7-8,13-14,20H2,1H3,(H,33,38)(H,34,39)
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| InChIKey |
NTHZQJCHNBGRDA-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