General Information of the Compound
| Compound ID |
CP0539546
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| Compound Name |
US8653100, 73
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| Structure |
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| Formula |
C24H30BrFN2O3S
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| Molecular Weight |
525.484
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1cc(Br)c2CCNC(c2c1)C1(CCC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H30BrFN2O3S/c1-2-14-32(29,30)28-12-13-31-19-15-21-20(22(25)16-19)8-11-27-23(21)24(9-3-10-24)17-4-6-18(26)7-5-17/h4-7,15-16,23,27-28H,2-3,8-14H2,1H3
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| InChIKey |
DKPDBPMACRLSMD-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