General Information of the Compound
| Compound ID |
CP0566299
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 115
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H36N4O4S
|
||||||||||||||||||
| Molecular Weight |
632.786
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCC2CCCCC2)ccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H36N4O4S/c1-23-20-26(45-22-24-8-3-2-4-9-24)14-15-27(23)28-16-17-33(39-34(28)36(43)44)41-19-18-25-10-7-11-29(30(25)21-41)35(42)40-37-38-31-12-5-6-13-32(31)46-37/h5-7,10-17,20,24H,2-4,8-9,18-19,21-22H2,1H3,(H,43,44)(H,38,40,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIBPITJIFDVGNJ-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