General Information of the Compound
| Compound ID |
CP0556711
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.168
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33ClN4O2
|
||||||||||||||||||
| Molecular Weight |
469.029
|
||||||||||||||||||
| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33ClN4O2/c1-18(31-14-12-19(13-15-31)25(32)29-22-7-3-2-4-8-22)20-6-5-9-23(16-20)30-26(33)24-11-10-21(27)17-28-24/h5-6,9-11,16-19,22H,2-4,7-8,12-15H2,1H3,(H,29,32)(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDBDTRCSFQYMGE-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