General Information of the Compound
| Compound ID |
CP0180642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12ClFN2O2S
|
||||||||||||||||||
| Molecular Weight |
326.78
|
||||||||||||||||||
| Canonical SMILES |
OC1(CCC1)c1cnc(NC(=O)c2ccc(F)c(Cl)c2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12ClFN2O2S/c15-9-6-8(2-3-10(9)16)12(19)18-13-17-7-11(21-13)14(20)4-1-5-14/h2-3,6-7,20H,1,4-5H2,(H,17,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILXVNGJDYBXBLK-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