General Information of the Compound
| Compound ID |
CP0561448
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| Compound Name |
N-(2,4-dichlorophenyl)-2-[[4-(3-hydroxypropyl)-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
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| Formula |
C23H22Cl2N6O3S
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| Molecular Weight |
533.441
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| Canonical SMILES |
Cn1nc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2CCCO)c2ccccc2c1=O
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| InChI |
InChI=1S/C23H22Cl2N6O3S/c1-30-22(34)16-6-3-2-5-15(16)19(29-30)12-20-27-28-23(31(20)9-4-10-32)35-13-21(33)26-18-8-7-14(24)11-17(18)25/h2-3,5-8,11,32H,4,9-10,12-13H2,1H3,(H,26,33)
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| InChIKey |
CNUYNTXJWXSAFC-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