General Information of the Compound
| Compound ID |
CP0465738
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[3,5-dimethyl-4-[2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enenitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C28H28N6O3S2
|
||||||||||||||||||
| Molecular Weight |
560.705
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)nc2ccsc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N6O3S2/c1-19-17-21(5-4-11-29)18-20(2)25(19)37-27-26-24(10-16-38-26)31-28(32-27)30-22-6-8-23(9-7-22)33-12-14-34(15-13-33)39(3,35)36/h4-10,16-18H,12-15H2,1-3H3,(H,30,31,32)/b5-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SIKLWCJIGALKPQ-SNAWJCMRSA-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