General Information of the Compound
| Compound ID |
CP0515524
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9233953, 53
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23FN4O3S
|
||||||||||||||||||
| Molecular Weight |
418.494
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23FN4O3S/c21-17-4-2-15(3-5-17)18-14-24(20-22-8-1-9-23-20)10-11-25(18)19(26)16-6-12-29(27,28)13-7-16/h1-5,8-9,16,18H,6-7,10-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYYMRGJRHJXQSG-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