General Information of the Compound
| Compound ID |
CP0518247
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| Compound Name |
US9035059, 11-3
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| Structure |
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| Formula |
C36H41FN2O3S
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| Molecular Weight |
600.8
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| Canonical SMILES |
CC(N1CCc2cc(ccc2C1)S(=O)(=O)Nc1ccc(OCCCc2ccccc2)cc1F)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C36H41FN2O3S/c1-26(28-12-15-31(16-13-28)36(2,3)4)39-21-20-29-23-33(18-14-30(29)25-39)43(40,41)38-35-19-17-32(24-34(35)37)42-22-8-11-27-9-6-5-7-10-27/h5-7,9-10,12-19,23-24,26,38H,8,11,20-22,25H2,1-4H3
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| InChIKey |
BFLWTSUTLRJTNZ-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