General Information of the Compound
| Compound ID |
CP0423525
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-(3,5-dichlorophenyl)-1-phenylpyrazol-3-yl]butanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C19H16Cl2N2O2
|
||||||||||||||||||
| Molecular Weight |
375.255
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)n(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16Cl2N2O2/c20-14-9-13(10-15(21)11-14)18-12-16(5-4-8-19(24)25)22-23(18)17-6-2-1-3-7-17/h1-3,6-7,9-12H,4-5,8H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KAAUESYUFSCCBA-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 | |||||||||||||||||||
| 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
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma