General Information of the Compound
| Compound ID |
CP0531491
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| Compound Name |
US9434711, 453
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| Structure |
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| Formula |
C23H24BrNO5S2
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| Molecular Weight |
538.485
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(CCOC1CCCCC1)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C23H24BrNO5S2/c24-21-19-8-4-5-9-20(19)31-22(21)25(14-15-30-17-6-2-1-3-7-17)32(28,29)18-12-10-16(11-13-18)23(26)27/h4-5,8-13,17H,1-3,6-7,14-15H2,(H,26,27)
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| InChIKey |
BZMDPRQLUJQAIQ-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