General Information of the Compound
| Compound ID |
CP0391051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5Z)-5-[[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C20H23N3OS
|
||||||||||||||||||
| Molecular Weight |
353.491
|
||||||||||||||||||
| Canonical SMILES |
C\N=C1/S\C(=C/c2cc(C)n(CCc3ccccc3)c2C)C(=O)N1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N3OS/c1-14-12-17(13-18-19(24)22(4)20(21-3)25-18)15(2)23(14)11-10-16-8-6-5-7-9-16/h5-9,12-13H,10-11H2,1-4H3/b18-13-,21-20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRMQNZGAYXZQKB-PQDITWEDSA-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