General Information of the Compound
| Compound ID |
CP0419421
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772323, 229
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N4O3
|
||||||||||||||||||
| Molecular Weight |
460.578
|
||||||||||||||||||
| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(C)(C)N2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N4O3/c1-4-18-16-24(32)29-30-25(18)20-9-12-22-23(15-20)34-26(28-22)19-7-10-21(11-8-19)33-17-27(2,3)31-13-5-6-14-31/h7-12,15,18H,4-6,13-14,16-17H2,1-3H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AELKDYKSJZPORV-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