General Information of the Compound
| Compound ID |
CP0056218
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-but-2-enedioic acid;[4-(morpholin-4-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H29N3O2
|
||||||||||||||||||
| Molecular Weight |
331.46
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H29N3O2.C4H4O4/c1-16(2)21-7-9-22(10-8-21)19(23)18-5-3-17(4-6-18)15-20-11-13-24-14-12-20;5-3(6)1-2-4(7)8/h3-6,16H,7-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWDBREUBRYUEGC-BTJKTKAUSA-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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2