General Information of the Compound
| Compound ID |
CP0561492
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-2-phenyl-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
539.097
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31ClN2O4S/c1-3-17-31-37(34,35)27-13-10-23(11-14-27)16-18-32(29(33)20-24-8-6-5-7-9-24)22-25-21-26(30)12-15-28(25)36-19-4-2/h1,5-15,21,31H,4,16-20,22H2,2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KINWLAHPZMYNSZ-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 | |||||||||||||||||||
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