General Information of the Compound
| Compound ID |
CP0555691
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
403.891
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(cc1Cl)-c1nnc(Nc2ccc(CC(O)=O)cc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18ClN3O3S/c1-11(2)26-16-8-5-13(10-15(16)20)18-22-23-19(27-18)21-14-6-3-12(4-7-14)9-17(24)25/h3-8,10-11H,9H2,1-2H3,(H,21,23)(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFXKLYZOOCNUQG-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