General Information of the Compound
| Compound ID |
CP0517838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266877, 100
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H36N6O6S
|
||||||||||||||||||
| Molecular Weight |
716.82
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(cnn1Cc1ccccc1OCC1COCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H36N6O6S/c1-24-30(19-40-45(24)20-26-7-2-4-11-33(26)51-23-27-22-49-17-18-50-27)28-13-14-35(42-36(28)38(47)48)44-16-15-25-8-6-9-29(31(25)21-44)37(46)43-39-41-32-10-3-5-12-34(32)52-39/h2-14,19,27H,15-18,20-23H2,1H3,(H,47,48)(H,41,43,46)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKSNYCREWBUSKN-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