General Information of the Compound
| Compound ID |
CP0918477
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-2-(2-(3,4-dioxo-2-(4-(thiophen-3-ylmethyl)piperazin-1-yl)cyclobut-1-enyl)vinyl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19N3O2S
|
||||||||||||||||||
| Molecular Weight |
389.48
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccccc1/C=C/c1c(N2CCN(Cc3ccsc3)CC2)c(=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19N3O2S/c23-13-18-4-2-1-3-17(18)5-6-19-20(22(27)21(19)26)25-10-8-24(9-11-25)14-16-7-12-28-15-16/h1-7,12,15H,8-11,14H2/b6-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RITXCCUFSHZLFB-AATRIKPKSA-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