General Information of the Compound
| Compound ID |
CP0439715
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-Benzyl-3-methylthioureido)benzoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16N2O2S
|
||||||||||||||||||
| Molecular Weight |
300.383
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccccc1)C(=S)Nc1ccccc1C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16N2O2S/c1-18(11-12-7-3-2-4-8-12)16(21)17-14-10-6-5-9-13(14)15(19)20/h2-10H,11H2,1H3,(H,17,21)(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FAVMGIVDHHDQLX-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