General Information of the Compound
| Compound ID |
CP0518481
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9365558, 69
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25ClF6N2O5S
|
||||||||||||||||||
| Molecular Weight |
639.014
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25ClF6N2O5S/c1-15-3-5-16(6-4-15)19-14-25(27(32,33)34,35-23(37)22(19)24(38)36-42(39,40)18-8-9-18)20-10-7-17(13-21(20)28)41-12-2-11-26(29,30)31/h3-7,10,13,18H,2,8-9,11-12,14H2,1H3,(H,35,37)(H,36,38)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KEVYJAGCNYAVMT-VWLOTQADSA-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