General Information of the Compound
| Compound ID |
CP0011961
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-(3-oxopiperazin-1-yl)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25N5O3
|
||||||||||||||||||
| Molecular Weight |
371.441
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCNC(=O)C2)[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25N5O3/c1-27-15-7-5-14(6-8-15)16-12-17(23-22-16)21-18(25)4-2-3-10-24-11-9-20-19(26)13-24/h5-8,12H,2-4,9-11,13H2,1H3,(H,20,26)(H2,21,22,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJQFQLWVHXSRMJ-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