General Information of the Compound
| Compound ID |
CP0014286
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9777008, Compound 152
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N2O3
|
||||||||||||||||||
| Molecular Weight |
402.494
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1ccc(cc1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N2O3/c26-25(29)20-10-8-19(9-11-20)21-6-3-7-24(14-21)30-17-23(28)16-27-13-12-18-4-1-2-5-22(18)15-27/h1-11,14,23,28H,12-13,15-17H2,(H2,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GHUVJRQDWNSJDU-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