General Information of the Compound
| Compound ID |
CP0251194
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C31H37N5O2
|
||||||||||||||||||
| Molecular Weight |
511.67
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccccc1)N1CCN(CC1)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H37N5O2/c37-30(21-25-9-2-1-3-10-25)36-19-17-35(18-20-36)29-12-5-4-11-28(29)26-22-27(24-32-23-26)31(38)33-13-8-16-34-14-6-7-15-34/h1-5,9-12,22-24H,6-8,13-21H2,(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FIQFMRQSQVAXDS-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