General Information of the Compound
| Compound ID |
CP0422274
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]thieno[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C29H30N6O3S2
|
||||||||||||||||||
| Molecular Weight |
574.732
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCCC(C2)NS(C)(=O)=O)nc2sccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30N6O3S2/c1-19-16-21(6-4-13-30)17-20(2)26(19)38-27-25-12-15-39-28(25)33-29(32-27)31-22-8-10-24(11-9-22)35-14-5-7-23(18-35)34-40(3,36)37/h4,6,8-12,15-17,23,34H,5,7,14,18H2,1-3H3,(H,31,32,33)/b6-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVWGTOGGUMSNSD-GQCTYLIASA-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