General Information of the Compound
| Compound ID |
CP0136125
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-chloro-phenoxy)-2-methyl-N-(5-methylsulfamoyl-adamantan-2-yl)-propionamide
Show/Hide
|
||||||||||||||||||
| Formula |
C21H29ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
440.993
|
||||||||||||||||||
| Canonical SMILES |
CNS(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(C3)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29ClN2O4S/c1-20(2,28-17-6-4-16(22)5-7-17)19(25)24-18-14-8-13-9-15(18)12-21(10-13,11-14)29(26,27)23-3/h4-7,13-15,18,23H,8-12H2,1-3H3,(H,24,25)/t13?,14?,15?,18-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
LAWOOLSGJUVOSC-YLGPJNIESA-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