General Information of the Compound
| Compound ID |
CP0515079
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 147
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H44N6O4S
|
||||||||||||||||||
| Molecular Weight |
692.886
|
||||||||||||||||||
| Canonical SMILES |
COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H44N6O4S/c1-26-30(23-40-45(26)25-39(20-10-22-49-2)18-7-3-4-8-19-39)28-15-16-34(42-35(28)37(47)48)44-21-17-27-11-9-12-29(31(27)24-44)36(46)43-38-41-32-13-5-6-14-33(32)50-38/h5-6,9,11-16,23H,3-4,7-8,10,17-22,24-25H2,1-2H3,(H,47,48)(H,41,43,46)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYQVJPGCJWFEQC-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