General Information of the Compound
| Compound ID |
CP0555179
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9035059, 6-17
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H45FN2O2S
|
||||||||||||||||||
| Molecular Weight |
576.822
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(CCN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(CCCC3CCCC3)cc2F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H45FN2O2S/c1-35(2,3)31-15-11-27(12-16-31)19-21-38-22-20-29-24-32(17-14-30(29)25-38)41(39,40)37-34-18-13-28(23-33(34)36)10-6-9-26-7-4-5-8-26/h11-18,23-24,26,37H,4-10,19-22,25H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICLDKNZXNSRJSI-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