General Information of the Compound
| Compound ID |
CP0547970
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| Compound Name |
sodium;2-[[5-bromo-4-[(4-bromonaphthalen-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
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| Structure |
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| Formula |
C15H10Br2N3NaO2S
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| Molecular Weight |
479.129
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| Canonical SMILES |
[Na+].[O-]C(=O)CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12
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| InChI |
InChI=1S/C15H11Br2N3O2S.Na/c16-12-6-5-9(10-3-1-2-4-11(10)12)7-20-14(17)18-19-15(20)23-8-13(21)22;/h1-6H,7-8H2,(H,21,22);/q;+1/p-1
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| InChIKey |
QKHOBXPYHSAVQH-UHFFFAOYSA-M
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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