General Information of the Compound
| Compound ID |
CP0201870
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| Compound Name |
N-cyclohexyl-2-(8-iodo-5-methyl-4-oxo-3-phenylpyrimido[5,4-b]indol-2-yl)sulfanylacetamide
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| Structure |
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| Formula |
C25H25IN4O2S
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| Molecular Weight |
572.472
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| Canonical SMILES |
Cn1c2ccc(I)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C25H25IN4O2S/c1-29-20-13-12-16(26)14-19(20)22-23(29)24(32)30(18-10-6-3-7-11-18)25(28-22)33-15-21(31)27-17-8-4-2-5-9-17/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(H,27,31)
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| InChIKey |
UEEJVRGQULFEMN-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