General Information of the Compound
| Compound ID |
CP0577033
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[(5-tert-butyl-2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18ClN3OS
|
||||||||||||||||||
| Molecular Weight |
347.871
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18ClN3OS/c1-17(2,3)12-9-23-15-13(12)14(20-16(18)21-15)19-8-10-4-6-11(22)7-5-10/h4-7,9,22H,8H2,1-3H3,(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ORHDXHDDZQSOCH-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 | |||||||||||||||||||
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