General Information of the Compound
| Compound ID |
CP0525119
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9139578, 22
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H17F4N5O4S2
|
||||||||||||||||||
| Molecular Weight |
627.601
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(cc2sc(nc12)C(NC(=O)c1ccc(cc1)C(F)(F)F)c1nnc(CC2SC(=O)NC2=O)o1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H17F4N5O4S2/c29-17-10-15(13-4-2-1-3-5-13)11-18-21(17)34-26(42-18)22(33-23(38)14-6-8-16(9-7-14)28(30,31)32)25-37-36-20(41-25)12-19-24(39)35-27(40)43-19/h1-11,19,22H,12H2,(H,33,38)(H,35,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQEZCWFFNWZZTN-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