General Information of the Compound
| Compound ID |
CP0207781
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[7-[5-chloro-3-methyl-2-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
483.037
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CNCCN1Cc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)CCC3=O)sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27ClN4O2S/c1-15-9-17(26)10-20(21(15)14-29-8-7-27-12-16(29)2)19-5-6-28-22-11-18(33-25(19)22)13-30-23(31)3-4-24(30)32/h5-6,9-11,16,27H,3-4,7-8,12-14H2,1-2H3/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHLPOHUMAFQMLG-INIZCTEOSA-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