General Information of the Compound
| Compound ID |
CP0518844
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| Compound Name |
US9035059, 23-1
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| Structure |
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| Formula |
C34H44FN3O2S
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| Molecular Weight |
577.81
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| Canonical SMILES |
CC(N1CCc2cc(ccc2C1)S(=O)(=O)Nc1ccc(CCCC2CCCC2)cc1F)c1ccc(nc1)C(C)(C)C
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| InChI |
InChI=1S/C34H44FN3O2S/c1-24(28-14-17-33(36-22-28)34(2,3)4)38-19-18-27-21-30(15-13-29(27)23-38)41(39,40)37-32-16-12-26(20-31(32)35)11-7-10-25-8-5-6-9-25/h12-17,20-22,24-25,37H,5-11,18-19,23H2,1-4H3
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| InChIKey |
DUVASYYCXRCGHW-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