General Information of the Compound
| Compound ID |
CP0529505
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9340500, I-004
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27ClN4O2
|
||||||||||||||||||
| Molecular Weight |
438.959
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1ccc(Cl)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27ClN4O2/c1-18-21(24(30)27-23-9-8-20(25)17-26-23)16-22(19-6-3-2-4-7-19)29(18)11-5-10-28-12-14-31-15-13-28/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,26,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SUCDNQBWRHFLRZ-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