General Information of the Compound
| Compound ID |
CP0552887
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-4-[3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]pyrrole-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20N4O5
|
||||||||||||||||||
| Molecular Weight |
432.436
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cn(Cc2ccccc2)cc1NC(=O)CCc1nc(no1)-c1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20N4O5/c28-17-8-6-16(7-9-17)22-25-21(32-26-22)11-10-20(29)24-19-14-27(13-18(19)23(30)31)12-15-4-2-1-3-5-15/h1-9,13-14,28H,10-12H2,(H,24,29)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBRPAQDAFSKATB-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