General Information of the Compound
| Compound ID |
CP0431913
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18N4OS2
|
||||||||||||||||||
| Molecular Weight |
346.481
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1nc(CCc2ccc(cc2)N=C2NCCS2)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18N4OS2/c1-11(21)18-16-20-14(10-23-16)7-4-12-2-5-13(6-3-12)19-15-17-8-9-22-15/h2-3,5-6,10H,4,7-9H2,1H3,(H,17,19)(H,18,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HCJSGSZYUCJIGN-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