General Information of the Compound
| Compound ID |
CP0492448
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| Compound Name |
N-(2,4-dichlorophenyl)-2-[[4-(3,3-diethoxypropyl)-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
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| Formula |
C27H30Cl2N6O4S
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| Molecular Weight |
605.548
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| Canonical SMILES |
CCOC(CCn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl)OCC
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| InChI |
InChI=1S/C27H30Cl2N6O4S/c1-4-38-25(39-5-2)12-13-35-23(15-22-18-8-6-7-9-19(18)26(37)34(3)33-22)31-32-27(35)40-16-24(36)30-21-11-10-17(28)14-20(21)29/h6-11,14,25H,4-5,12-13,15-16H2,1-3H3,(H,30,36)
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| InChIKey |
PBCQBGMZGHYFPR-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