General Information of the Compound
| Compound ID |
CP0519697
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| Compound Name |
N-cyclohexyl-3-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanamide
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| Structure |
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| Formula |
C25H26N4O2S
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| Molecular Weight |
446.576
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| Canonical SMILES |
O=C(CCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1
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| InChI |
InChI=1S/C25H26N4O2S/c30-21(26-17-9-3-1-4-10-17)15-16-32-25-28-22-19-13-7-8-14-20(19)27-23(22)24(31)29(25)18-11-5-2-6-12-18/h2,5-8,11-14,17,27H,1,3-4,9-10,15-16H2,(H,26,30)
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| InChIKey |
OPNXDVLAXBJIMK-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