General Information of the Compound
| Compound ID |
CP0522697
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl)-3-phenoxypropan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27FN4O2S
|
||||||||||||||||||
| Molecular Weight |
478.593
|
||||||||||||||||||
| Canonical SMILES |
OC(COc1ccccc1)CN1CCCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27FN4O2S/c27-20-9-7-19(8-10-20)23-17-34-26-24(23)25(28-18-29-26)31-12-4-11-30(13-14-31)15-21(32)16-33-22-5-2-1-3-6-22/h1-3,5-10,17-18,21,32H,4,11-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MKIHUWQKVGMVRG-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