General Information of the Compound
| Compound ID |
CP0518839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9035059, 8-3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H43FN2O3S
|
||||||||||||||||||
| Molecular Weight |
566.783
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(CCc4ccc(cc4)C(C)(C)C)CCc3c2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H43FN2O3S/c1-5-6-7-8-21-39-29-14-16-32(31(34)23-29)35-40(37,38)30-15-11-27-24-36(20-18-26(27)22-30)19-17-25-9-12-28(13-10-25)33(2,3)4/h9-16,22-23,35H,5-8,17-21,24H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKCOWGLMDPIMLW-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound