General Information of the Compound
| Compound ID |
CP0558931
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| Compound Name |
N-(2,4-dichlorophenyl)-8-[[4-(3,3-diethoxypropyl)-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]octanamide
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| Formula |
C33H42Cl2N6O4S
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| Molecular Weight |
689.71
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| Canonical SMILES |
CCOC(CCn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl)OCC
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| InChI |
InChI=1S/C33H42Cl2N6O4S/c1-4-44-31(45-5-2)18-19-41-29(22-28-24-13-10-11-14-25(24)32(43)40(3)39-28)37-38-33(41)46-20-12-8-6-7-9-15-30(42)36-27-17-16-23(34)21-26(27)35/h10-11,13-14,16-17,21,31H,4-9,12,15,18-20,22H2,1-3H3,(H,36,42)
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| InChIKey |
MOQJVBRGSNZSKG-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: PT07276, Interleukin-15
Protein ID: PT03663, Interleukin-15
Protein ID: PT03664, Interleukin-2