General Information of the Compound
| Compound ID |
CP0465082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-1-[[5-methyl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]pyrrole-2,5-dione;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28ClN5O3S2
|
||||||||||||||||||
| Molecular Weight |
582.151
|
||||||||||||||||||
| Canonical SMILES |
Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OCCN3CCCC3)cc2)-c2cccs2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N5O3S2.ClH/c1-17-16-22(34)33(28(17)35)31-26-23-18(2)24(38-27(23)30-25(29-26)21-6-5-15-37-21)19-7-9-20(10-8-19)36-14-13-32-11-3-4-12-32;/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,29,30,31);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
LXDPKUDVTRBFBT-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