General Information of the Compound
| Compound ID |
CP0484074
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| Compound Name |
US9035059, 14-3
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| Structure |
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| Formula |
C32H40FN3O4S
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| Molecular Weight |
581.754
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| Canonical SMILES |
CCCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(CCc3c2)C(=O)Nc2ccc(CCCC)cc2)c(F)c1
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| InChI |
InChI=1S/C32H40FN3O4S/c1-3-5-7-8-20-40-28-15-17-31(30(33)22-28)35-41(38,39)29-16-12-26-23-36(19-18-25(26)21-29)32(37)34-27-13-10-24(11-14-27)9-6-4-2/h10-17,21-22,35H,3-9,18-20,23H2,1-2H3,(H,34,37)
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| InChIKey |
CDXIVPUHCDFVPW-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