General Information of the Compound
| Compound ID |
CP0109916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-4-phenylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23N3O2S
|
||||||||||||||||||
| Molecular Weight |
465.578
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccccc1)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23N3O2S/c32-26(29-19-20-7-3-1-4-8-20)23-15-17-25(18-16-23)30-28(34)31-27(33)24-13-11-22(12-14-24)21-9-5-2-6-10-21/h1-18H,19H2,(H,29,32)(H2,30,31,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZENOLVYNRQUNLL-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