General Information of the Compound
| Compound ID |
CP0538252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H31N3O
|
||||||||||||||||||
| Molecular Weight |
317.477
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)Cc1ccc(cc1)C(=O)N1CCN(CC1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H31N3O/c1-5-20(6-2)15-17-7-9-18(10-8-17)19(23)22-13-11-21(12-14-22)16(3)4/h7-10,16H,5-6,11-15H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSXGHSBBKRVVCX-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