General Information of the Compound
| Compound ID |
CP0419328
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9206164, 91
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21FN4O2
|
||||||||||||||||||
| Molecular Weight |
392.434
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(Cc2ccc(cc2F)-c2nc3cc(C)ccc3[nH]2)c(C)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21FN4O2/c1-12-4-7-19-20(8-12)25-22(24-19)15-5-6-16(18(23)9-15)11-27-14(3)17(10-21(28)29)13(2)26-27/h4-9H,10-11H2,1-3H3,(H,24,25)(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AZHFSZDOWJKTFH-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