General Information of the Compound
| Compound ID |
CP0482000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N2O3S
|
||||||||||||||||||
| Molecular Weight |
464.631
|
||||||||||||||||||
| Canonical SMILES |
CCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N2O3S/c1-3-18-29(20-23-8-6-5-7-9-23)21-24-10-14-25(15-11-24)28-27(30)19-22-12-16-26(17-13-22)33(31,32)4-2/h5-17H,3-4,18-21H2,1-2H3,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWRYHBNVYOIZJC-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 | |||||||||||||||||||