General Information of the Compound
| Compound ID |
CP0432021
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| Compound Name |
1-[[5-bromo-4-[(4-bromonaphthalen-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylmethanesulfonamide
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| Structure |
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| Formula |
C20H16Br2N4O2S2
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| Molecular Weight |
568.316
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| Canonical SMILES |
Brc1nnc(SCS(=O)(=O)Nc2ccccc2)n1Cc1ccc(Br)c2ccccc12
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| InChI |
InChI=1S/C20H16Br2N4O2S2/c21-18-11-10-14(16-8-4-5-9-17(16)18)12-26-19(22)23-24-20(26)29-13-30(27,28)25-15-6-2-1-3-7-15/h1-11,25H,12-13H2
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| InChIKey |
WGLQIWMKOPOYRY-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