General Information of the Compound
| Compound ID |
CP0533504
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| Compound Name |
1-[[5-bromo-4-[(4-bromonaphthalen-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodopyridin-3-yl)methanesulfonamide
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| Structure |
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| Formula |
C19H14Br2IN5O2S2
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| Molecular Weight |
695.2
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| Canonical SMILES |
Brc1nnc(SCS(=O)(=O)Nc2cnccc2I)n1Cc1ccc(Br)c2ccccc12
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| InChI |
InChI=1S/C19H14Br2IN5O2S2/c20-15-6-5-12(13-3-1-2-4-14(13)15)10-27-18(21)24-25-19(27)30-11-31(28,29)26-17-9-23-8-7-16(17)22/h1-9,26H,10-11H2
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| InChIKey |
RIXHGELNFVEMJH-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