General Information of the Compound
| Compound ID |
CP0552484
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| Compound Name |
3-[3-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-4-yl]propanoic acid
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| Formula |
C23H20Cl2N6O4S
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| Molecular Weight |
547.424
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| Canonical SMILES |
Cn1nc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2CCC(O)=O)c2ccccc2c1=O
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| InChI |
InChI=1S/C23H20Cl2N6O4S/c1-30-22(35)15-5-3-2-4-14(15)18(29-30)11-19-27-28-23(31(19)9-8-21(33)34)36-12-20(32)26-17-7-6-13(24)10-16(17)25/h2-7,10H,8-9,11-12H2,1H3,(H,26,32)(H,33,34)
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| InChIKey |
JEZOOVPTFQSPQG-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