General Information of the Compound
| Compound ID |
CP0912252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID49647966
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23FN4OS
|
||||||||||||||||||
| Molecular Weight |
434.54
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CN2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23FN4OS/c1-30-20-8-2-17(3-9-20)14-28-10-12-29(13-11-28)23-22-21(15-31-24(22)27-16-26-23)18-4-6-19(25)7-5-18/h2-9,15-16H,10-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JPEXNVDDTWRGBR-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