General Information of the Compound
| Compound ID |
CP0518245
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| Compound Name |
US9035059, 6-54
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| Structure |
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| Formula |
C30H33F4N3O2S
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| Molecular Weight |
575.672
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| Canonical SMILES |
Fc1cc(CCCC2CCCC2)ccc1NS(=O)(=O)c1ccc2CN(Cc3ccc(nc3)C(F)(F)F)CCc2c1
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| InChI |
InChI=1S/C30H33F4N3O2S/c31-27-16-22(7-3-6-21-4-1-2-5-21)8-12-28(27)36-40(38,39)26-11-10-25-20-37(15-14-24(25)17-26)19-23-9-13-29(35-18-23)30(32,33)34/h8-13,16-18,21,36H,1-7,14-15,19-20H2
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| InChIKey |
ZWSPIQYMTSMJCS-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