General Information of the Compound
| Compound ID |
CP0578490
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11161839, Example 11h
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22ClN7O
|
||||||||||||||||||
| Molecular Weight |
471.952
|
||||||||||||||||||
| Canonical SMILES |
CC(Nc1cc(=O)n(CC2CC2)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22ClN7O/c1-15(25-29-8-2-9-30-25)31-21-12-23(34)33(14-16-3-4-16)22-6-5-17(11-18(21)22)32-20-7-10-28-24(26)19(20)13-27/h2,5-12,15-16,31H,3-4,14H2,1H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZFQLFIVAHTACB-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 | |||||||||||||||||||
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