General Information of the Compound
| Compound ID |
CP0402527
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.090
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
489.447
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(cnc1Cl)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30Cl2N4O2/c26-22-14-19(15-28-23(22)27)25(33)30-21-8-4-5-17(13-21)16-31-11-9-18(10-12-31)24(32)29-20-6-2-1-3-7-20/h4-5,8,13-15,18,20H,1-3,6-7,9-12,16H2,(H,29,32)(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZWFRJZRNCJBQOH-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