General Information of the Compound
| Compound ID |
CP0331532
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9233968, 20
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H16FN5O
|
||||||||||||||||||
| Molecular Weight |
385.402
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(F)c(c1)C(=O)Nc1ccc(cc1)C#Cc1ccc2nc(N)cn2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16FN5O/c1-14-2-10-19(23)18(12-14)22(29)25-16-6-3-15(4-7-16)5-8-17-9-11-21-26-20(24)13-28(21)27-17/h2-4,6-7,9-13H,24H2,1H3,(H,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XVHXHKROMDBDGP-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