General Information of the Compound
| Compound ID |
CP0498580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-[(2S)-2-(benzylamino)-3-[(3,4-dichlorophenyl)methoxy]propanoyl]piperidin-4-yl]methyl]-N-phenylmethanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35Cl2N3O4S
|
||||||||||||||||||
| Molecular Weight |
604.6
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N(CC1CCN(CC1)C(=O)[C@H](COCc1ccc(Cl)c(Cl)c1)NCc1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35Cl2N3O4S/c1-40(37,38)35(26-10-6-3-7-11-26)20-24-14-16-34(17-15-24)30(36)29(33-19-23-8-4-2-5-9-23)22-39-21-25-12-13-27(31)28(32)18-25/h2-13,18,24,29,33H,14-17,19-22H2,1H3/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUSQQOCSYQHDPX-LJAQVGFWSA-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