General Information of the Compound
| Compound ID |
CP0498626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-N-(3-(4-methylpiperidin-1-yl)propyl)-3-phenylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H41N3O4S
|
||||||||||||||||||
| Molecular Weight |
515.72
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H41N3O4S/c1-20-12-16-31(17-13-20)15-9-14-29-28(32)25(19-24-10-7-6-8-11-24)30-36(33,34)27-21(2)18-26(35-5)22(3)23(27)4/h6-8,10-11,18,20,25,30H,9,12-17,19H2,1-5H3,(H,29,32)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQFRKAUIFBSTDZ-VWLOTQADSA-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