General Information of the Compound
| Compound ID |
CP0548381
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| Compound Name |
3-[3-[8-(2,4-dichloroanilino)-8-oxooctyl]sulfanyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-4-yl]propanoic acid
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| Formula |
C29H32Cl2N6O4S
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| Molecular Weight |
631.586
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| Canonical SMILES |
Cn1nc(Cc2nnc(SCCCCCCCC(=O)Nc3ccc(Cl)cc3Cl)n2CCC(O)=O)c2ccccc2c1=O
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| InChI |
InChI=1S/C29H32Cl2N6O4S/c1-36-28(41)21-10-7-6-9-20(21)24(35-36)18-25-33-34-29(37(25)15-14-27(39)40)42-16-8-4-2-3-5-11-26(38)32-23-13-12-19(30)17-22(23)31/h6-7,9-10,12-13,17H,2-5,8,11,14-16,18H2,1H3,(H,32,38)(H,39,40)
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| InChIKey |
APRYGLLMCLFANI-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