General Information of the Compound
| Compound ID |
CP0534571
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Aminomethyl-N-(2,2-dibutyl-benzo[1,3]dioxol-4-yl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N2O3
|
||||||||||||||||||
| Molecular Weight |
382.504
|
||||||||||||||||||
| Canonical SMILES |
CCCCC1(CCCC)Oc2cccc(NC(=O)c3ccc(CN)cc3)c2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N2O3/c1-3-5-14-23(15-6-4-2)27-20-9-7-8-19(21(20)28-23)25-22(26)18-12-10-17(16-24)11-13-18/h7-13H,3-6,14-16,24H2,1-2H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YCZAAGOVUKXJFY-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