General Information of the Compound
| Compound ID |
CP0049932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(3-(3-(4-fluorobenzyl)piperidin-1-yl)propyl)-3-(3-acetylphenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30FN3O2
|
||||||||||||||||||
| Molecular Weight |
411.521
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1cccc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30FN3O2/c1-18(29)21-6-2-7-23(16-21)27-24(30)26-12-4-14-28-13-3-5-20(17-28)15-19-8-10-22(25)11-9-19/h2,6-11,16,20H,3-5,12-15,17H2,1H3,(H2,26,27,30)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDDSQKZQCHXOJV-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