General Information of the Compound
| Compound ID |
CP0545723
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| Compound Name |
8-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dichlorophenyl)octanamide
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| Formula |
C35H48Cl2N6O3SSi
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| Molecular Weight |
731.867
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| Canonical SMILES |
Cn1nc(Cc2nnc(SCCCCCCCC(=O)Nc3ccc(Cl)cc3Cl)n2CCCO[Si](C)(C)C(C)(C)C)c2ccccc2c1=O
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| InChI |
InChI=1S/C35H48Cl2N6O3SSi/c1-35(2,3)48(5,6)46-21-14-20-43-31(24-30-26-15-11-12-16-27(26)33(45)42(4)41-30)39-40-34(43)47-22-13-9-7-8-10-17-32(44)38-29-19-18-25(36)23-28(29)37/h11-12,15-16,18-19,23H,7-10,13-14,17,20-22,24H2,1-6H3,(H,38,44)
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| InChIKey |
MZIJQTGOQIVPQH-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