General Information of the Compound
| Compound ID |
CP0317927
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| Compound Name |
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)sulfonylacetamide
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| Structure |
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| Formula |
C23H18Br2N4O3S2
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| Molecular Weight |
622.364
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| Canonical SMILES |
Brc1nnc(SCC(=O)NS(=O)(=O)c2ccc(Br)cc2)n1-c1ccc(C2CC2)c2ccccc12
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| InChI |
InChI=1S/C23H18Br2N4O3S2/c24-15-7-9-16(10-8-15)34(31,32)28-21(30)13-33-23-27-26-22(25)29(23)20-12-11-17(14-5-6-14)18-3-1-2-4-19(18)20/h1-4,7-12,14H,5-6,13H2,(H,28,30)
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| InChIKey |
ACJMZWDXPVFOLG-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