General Information of the Compound
| Compound ID |
CP0076542
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-phenyl-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25N3O3S2
|
||||||||||||||||||
| Molecular Weight |
515.66
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1)c1ccc(cc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25N3O3S2/c32-27(24-13-11-23(12-14-24)22-9-5-2-6-10-22)31-28(35)30-25-15-17-26(18-16-25)36(33,34)29-20-19-21-7-3-1-4-8-21/h1-18,29H,19-20H2,(H2,30,31,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFSFFWVLTGHLIO-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