General Information of the Compound
| Compound ID |
CP0658671
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(N-(4-(4-chlorophenyl)-5-ethylthiazol-2-yl)pentanamido)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
442.968
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(=O)N(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(Cl)cc2)c(CC)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23ClN2O3S/c1-3-5-6-20(27)26(18-13-9-16(10-14-18)22(28)29)23-25-21(19(4-2)30-23)15-7-11-17(24)12-8-15/h7-14H,3-6H2,1-2H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVWLSDCKJPYKLH-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