General Information of the Compound
| Compound ID |
CP0566295
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 82
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H36N6O3S
|
||||||||||||||||||
| Molecular Weight |
620.779
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(cnn1CC1(C)CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H36N6O3S/c1-22-26(19-36-41(22)21-35(2)16-6-3-7-17-35)24-13-14-30(38-31(24)33(43)44)40-18-15-23-9-8-10-25(27(23)20-40)32(42)39-34-37-28-11-4-5-12-29(28)45-34/h4-5,8-14,19H,3,6-7,15-18,20-21H2,1-2H3,(H,43,44)(H,37,39,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKWOGPRRCOBWST-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