General Information of the Compound
| Compound ID |
CP0234752
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| Compound Name |
N-(2,4-dichlorophenyl)-2-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
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| Structure |
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| Formula |
C21H18Cl2N6O2S
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| Molecular Weight |
489.388
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| Canonical SMILES |
Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H18Cl2N6O2S/c1-28-18(10-17-13-5-3-4-6-14(13)20(31)29(2)27-17)25-26-21(28)32-11-19(30)24-16-8-7-12(22)9-15(16)23/h3-9H,10-11H2,1-2H3,(H,24,30)
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| InChIKey |
RUZXXRYUPQCFAF-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