General Information of the Compound
| Compound ID |
CP0364106
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| Compound Name |
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-difluorophenyl)sulfonylacetamide
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| Formula |
C23H17BrF2N4O3S2
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| Molecular Weight |
579.448
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| Canonical SMILES |
Fc1ccc(c(F)c1)S(=O)(=O)NC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12
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| InChI |
InChI=1S/C23H17BrF2N4O3S2/c24-22-27-28-23(34-12-21(31)29-35(32,33)20-10-7-14(25)11-18(20)26)30(22)19-9-8-15(13-5-6-13)16-3-1-2-4-17(16)19/h1-4,7-11,13H,5-6,12H2,(H,29,31)
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| InChIKey |
URCGWSTZPKYWPL-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