General Information of the Compound
| Compound ID |
CP0473425
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-hydroxyethyl)-4-[3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]pyrrole-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18N4O6
|
||||||||||||||||||
| Molecular Weight |
386.364
|
||||||||||||||||||
| Canonical SMILES |
OCCn1cc(NC(=O)CCc2nc(no2)-c2ccc(O)cc2)c(c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N4O6/c23-8-7-22-9-13(18(26)27)14(10-22)19-15(25)5-6-16-20-17(21-28-16)11-1-3-12(24)4-2-11/h1-4,9-10,23-24H,5-8H2,(H,19,25)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXPCQSVIXLOPQD-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