General Information of the Compound
| Compound ID |
CP0578158
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9409915, 18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26ClN5O
|
||||||||||||||||||
| Molecular Weight |
447.97
|
||||||||||||||||||
| Canonical SMILES |
COc1nc(cc2nc([nH]c12)-c1c2c(CCC22CCCCC2)nn1C)-c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26ClN5O/c1-31-22(20-17(30-31)10-13-25(20)11-6-3-7-12-25)23-27-19-14-18(15-8-4-5-9-16(15)26)28-24(32-2)21(19)29-23/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FWKCSDWVIGZDDO-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