General Information of the Compound
| Compound ID |
CP0561211
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| Compound Name |
US9434711, 278
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| Structure |
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| Formula |
C26H26BrNO4S2
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| Molecular Weight |
560.535
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(CC12CC3CC(CC(C3)C1)C2)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C26H26BrNO4S2/c27-23-21-3-1-2-4-22(21)33-24(23)28(34(31,32)20-7-5-19(6-8-20)25(29)30)15-26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,16-18H,9-15H2,(H,29,30)
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| InChIKey |
LNCKTQQRIHYODD-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