General Information of the Compound
| Compound ID |
CP0465729
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-hydroxy-N-[4-(3-propan-2-ylanilino)thieno[3,2-d]pyrimidin-6-yl]octanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N5O3S
|
||||||||||||||||||
| Molecular Weight |
455.584
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(Nc2ncnc3cc(NC(=O)CCCCCCC(=O)NO)sc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N5O3S/c1-15(2)16-8-7-9-17(12-16)26-23-22-18(24-14-25-23)13-21(32-22)27-19(29)10-5-3-4-6-11-20(30)28-31/h7-9,12-15,31H,3-6,10-11H2,1-2H3,(H,27,29)(H,28,30)(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTKAREQKSAVKGM-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