General Information of the Compound
| Compound ID |
CP0500221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772323, 242
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N4O3
|
||||||||||||||||||
| Molecular Weight |
432.524
|
||||||||||||||||||
| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC[C@@H]2CCCN2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4O3/c1-3-16-14-23(30)27-28-24(16)18-8-11-21-22(13-18)32-25(26-21)17-6-9-20(10-7-17)31-15-19-5-4-12-29(19)2/h6-11,13,16,19H,3-5,12,14-15H2,1-2H3,(H,27,30)/t16?,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZFODABIEADHWSC-CVMIBEPCSA-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