General Information of the Compound
| Compound ID |
CP0394499
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((1-[(4-([(3S)-3-Methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinyl)amino)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33N5O
|
||||||||||||||||||
| Molecular Weight |
431.584
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(c3)C#N)cc2)CCN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33N5O/c1-20-18-30(14-11-28-20)19-22-7-5-21(6-8-22)16-26(32)31-12-9-24(10-13-31)29-25-4-2-3-23(15-25)17-27/h2-8,15,20,24,28-29H,9-14,16,18-19H2,1H3/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BVWALIIZZWACOM-FQEVSTJZSA-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