General Information of the Compound
| Compound ID |
CP0492449
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| Compound Name |
N-(2,4-dichlorophenyl)-8-[[4-[3-(dimethylamino)propyl]-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]octanamide
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| Formula |
C31H39Cl2N7O2S
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| Molecular Weight |
644.673
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| Canonical SMILES |
CN(C)CCCn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C31H39Cl2N7O2S/c1-38(2)17-11-18-40-28(21-27-23-12-8-9-13-24(23)30(42)39(3)37-27)35-36-31(40)43-19-10-6-4-5-7-14-29(41)34-26-16-15-22(32)20-25(26)33/h8-9,12-13,15-16,20H,4-7,10-11,14,17-19,21H2,1-3H3,(H,34,41)
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| InChIKey |
KSCYGLQJYYKMIV-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