General Information of the Compound
| Compound ID |
CP0268047
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| Compound Name |
N-(2,4-dichlorophenyl)-8-[[4-methyl-5-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]octanamide
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| Formula |
C26H28Cl2N6O2S
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| Molecular Weight |
559.523
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| Canonical SMILES |
Cn1c(Cc2n[nH]c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C26H28Cl2N6O2S/c1-34-23(16-22-18-9-6-7-10-19(18)25(36)32-30-22)31-33-26(34)37-14-8-4-2-3-5-11-24(35)29-21-13-12-17(27)15-20(21)28/h6-7,9-10,12-13,15H,2-5,8,11,14,16H2,1H3,(H,29,35)(H,32,36)
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| InChIKey |
ONGBBHLBRUCXOK-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: PT03663, Interleukin-15
Protein ID: PT07276, Interleukin-15
Protein ID: PT03664, Interleukin-2