General Information of the Compound
| Compound ID |
CP0450801
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8952150, 124
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H40N8O5
|
||||||||||||||||||
| Molecular Weight |
676.778
|
||||||||||||||||||
| Canonical SMILES |
CN(c1ccc(cc1)C(=O)NCc1ccccc1)c1nc(NCCOCCOCCNC(=O)c2ccccc2)nc(Nc2ccc(O)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H40N8O5/c1-45(31-16-12-29(13-17-31)34(48)40-26-27-8-4-2-5-9-27)37-43-35(42-36(44-37)41-30-14-18-32(46)19-15-30)39-21-23-50-25-24-49-22-20-38-33(47)28-10-6-3-7-11-28/h2-19,46H,20-26H2,1H3,(H,38,47)(H,40,48)(H2,39,41,42,43,44)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNMXGJVQBLWDOU-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