General Information of the Compound
| Compound ID |
CP0561210
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| Compound Name |
US9434711, 253
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| Structure |
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| Formula |
C19H18BrNO3S2
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| Molecular Weight |
452.395
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| Canonical SMILES |
CC(=O)CCCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H18BrNO3S2/c1-14(22)8-7-13-21(26(23,24)15-9-3-2-4-10-15)19-18(20)16-11-5-6-12-17(16)25-19/h2-6,9-12H,7-8,13H2,1H3
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| InChIKey |
KLOUKLIUBOXSCI-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