General Information of the Compound
| Compound ID |
CP0474902
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| Compound Name |
US9434711, 241
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| Structure |
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| Formula |
C20H21BrN2O2S2
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| Molecular Weight |
465.438
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| Canonical SMILES |
CN1CCC[C@H]1CN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H21BrN2O2S2/c1-22-13-7-8-15(22)14-23(27(24,25)16-9-3-2-4-10-16)20-19(21)17-11-5-6-12-18(17)26-20/h2-6,9-12,15H,7-8,13-14H2,1H3/t15-/m0/s1
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| InChIKey |
UDNQUMIWCUALSY-HNNXBMFYSA-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