General Information of the Compound
| Compound ID |
CP0468386
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8952150, 57
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33N7O5
|
||||||||||||||||||
| Molecular Weight |
571.638
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccccc3)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33N7O5/c38-26(39)21-22-11-13-25(14-12-22)34-30-36-28(35-29(37-30)33-24-9-5-2-6-10-24)32-16-18-42-20-19-41-17-15-31-27(40)23-7-3-1-4-8-23/h1-14H,15-21H2,(H,31,40)(H,38,39)(H3,32,33,34,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVPKBGNTHGKWFC-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