General Information of the Compound
| Compound ID |
CP0222241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9073922, 87
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18FN3O
|
||||||||||||||||||
| Molecular Weight |
323.371
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18FN3O/c1-24-18-3-2-13(20)10-15(18)14-6-9-22-19-16(14)11-17(23-19)12-4-7-21-8-5-12/h2-4,6,9-11,21H,5,7-8H2,1H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHDZLFHFYYIDMB-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
Protein ID: PT01235, Cyclin-dependent kinase 9
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000482 | NCI-H929 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 39 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|