General Information of the Compound
| Compound ID |
CP0510459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-chlorophenyl)-2-(2-phenoxybenzyl)thiazol-5-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H18ClNO3S
|
||||||||||||||||||
| Molecular Weight |
435.932
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1sc(Cc2ccccc2Oc2ccccc2)nc1-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H18ClNO3S/c25-18-12-10-16(11-13-18)24-21(15-23(27)28)30-22(26-24)14-17-6-4-5-9-20(17)29-19-7-2-1-3-8-19/h1-13H,14-15H2,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XABTYDRBGWHHBM-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