General Information of the Compound
| Compound ID |
CP0326610
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| Compound Name |
2-(3-cyclohexylpropylsulfanyl)-3-phenyl-5H-pyrimido[5,4-b]indol-4-one
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| Structure |
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| Formula |
C25H27N3OS
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| Molecular Weight |
417.578
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| Canonical SMILES |
O=c1n(c(SCCCC2CCCCC2)nc2c3ccccc3[nH]c12)-c1ccccc1
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| InChI |
InChI=1S/C25H27N3OS/c29-24-23-22(20-15-7-8-16-21(20)26-23)27-25(28(24)19-13-5-2-6-14-19)30-17-9-12-18-10-3-1-4-11-18/h2,5-8,13-16,18,26H,1,3-4,9-12,17H2
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| InChIKey |
VOQYUXKFFIQIAC-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