General Information of the Compound
| Compound ID |
CP0558426
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]amino]phenol
Show/Hide
|
||||||||||||||||||
| Formula |
C23H21N3O4S
|
||||||||||||||||||
| Molecular Weight |
435.505
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C\c2nc(Nc3ccc(O)cc3)c3sccc3n2)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N3O4S/c1-28-18-12-14(13-19(29-2)21(18)30-3)4-9-20-25-17-10-11-31-22(17)23(26-20)24-15-5-7-16(27)8-6-15/h4-13,27H,1-3H3,(H,24,25,26)/b9-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FTAGPVPONAIIBZ-RUDMXATFSA-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 | |||||||||||||||||||
| 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