General Information of the Compound
| Compound ID |
CP0506844
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9233953, 91
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25FN4O3S
|
||||||||||||||||||
| Molecular Weight |
432.521
|
||||||||||||||||||
| Canonical SMILES |
Cc1cnc(cn1)N1CCN(C(C1)c1ccc(F)cc1)C(=O)C1CCS(=O)(=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25FN4O3S/c1-15-12-24-20(13-23-15)25-8-9-26(19(14-25)16-2-4-18(22)5-3-16)21(27)17-6-10-30(28,29)11-7-17/h2-5,12-13,17,19H,6-11,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALBAROWOQXOADD-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