General Information of the Compound
| Compound ID |
CP0553912
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| Compound Name |
US9035059, 6-78
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| Structure |
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| Formula |
C29H32F4N4O2S
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| Molecular Weight |
576.66
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| Canonical SMILES |
Fc1cc(CCCC2CCCC2)ccc1NS(=O)(=O)c1ccc2CN(Cc3cnc(nc3)C(F)(F)F)CCc2c1
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| InChI |
InChI=1S/C29H32F4N4O2S/c30-26-14-21(7-3-6-20-4-1-2-5-20)8-11-27(26)36-40(38,39)25-10-9-24-19-37(13-12-23(24)15-25)18-22-16-34-28(35-17-22)29(31,32)33/h8-11,14-17,20,36H,1-7,12-13,18-19H2
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| InChIKey |
UEKXPKVKKQWFNQ-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