General Information of the Compound
| Compound ID |
CP0548042
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| Compound Name |
N-(2,4-dichlorophenyl)-8-[[4-(3-hydroxypropyl)-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]octanamide
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| Formula |
C29H34Cl2N6O3S
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| Molecular Weight |
617.603
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| Canonical SMILES |
Cn1nc(Cc2nnc(SCCCCCCCC(=O)Nc3ccc(Cl)cc3Cl)n2CCCO)c2ccccc2c1=O
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| InChI |
InChI=1S/C29H34Cl2N6O3S/c1-36-28(40)22-11-7-6-10-21(22)25(35-36)19-26-33-34-29(37(26)15-9-16-38)41-17-8-4-2-3-5-12-27(39)32-24-14-13-20(30)18-23(24)31/h6-7,10-11,13-14,18,38H,2-5,8-9,12,15-17,19H2,1H3,(H,32,39)
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| InChIKey |
NQJHCUOBIRIISX-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