General Information of the Compound
| Compound ID |
CP0500215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772323, 160
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38N4O3
|
||||||||||||||||||
| Molecular Weight |
490.648
|
||||||||||||||||||
| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN(CC(C)C)CC(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N4O3/c1-6-21-16-27(34)31-32-28(21)23-9-12-25-26(15-23)36-29(30-25)22-7-10-24(11-8-22)35-14-13-33(17-19(2)3)18-20(4)5/h7-12,15,19-21H,6,13-14,16-18H2,1-5H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEFUAYSJGSIHEI-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