General Information of the Compound
| Compound ID |
CP0492444
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| Compound Name |
N-(2,4-dichlorophenyl)-2-[[5-[[3-[3-(dimethylamino)propyl]-4-oxophthalazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
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| Formula |
C25H27Cl2N7O2S
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| Molecular Weight |
560.511
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| Canonical SMILES |
CN(C)CCCn1nc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)c2ccccc2c1=O
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| InChI |
InChI=1S/C25H27Cl2N7O2S/c1-32(2)11-6-12-34-24(36)18-8-5-4-7-17(18)21(31-34)14-22-29-30-25(33(22)3)37-15-23(35)28-20-10-9-16(26)13-19(20)27/h4-5,7-10,13H,6,11-12,14-15H2,1-3H3,(H,28,35)
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| InChIKey |
WCIVEKHHJRXVMF-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