General Information of the Compound
| Compound ID |
CP0518246
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| Compound Name |
US9035059, 7-35
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| Structure |
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| Formula |
C28H41FN2O2S
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| Molecular Weight |
488.713
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| Canonical SMILES |
CCCCCCCc1ccc(NS(=O)(=O)c2ccc3CN(CCCCCC)CCc3c2)c(F)c1
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| InChI |
InChI=1S/C28H41FN2O2S/c1-3-5-7-9-10-12-23-13-16-28(27(29)20-23)30-34(32,33)26-15-14-25-22-31(18-11-8-6-4-2)19-17-24(25)21-26/h13-16,20-21,30H,3-12,17-19,22H2,1-2H3
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| InChIKey |
DMIIHUWNLIWYFB-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