General Information of the Compound
| Compound ID |
CP0448336
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Methyl-2-[3-(3-trifluoromethyl-phenyl)-ureido]-benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13F3N2O3
|
||||||||||||||||||
| Molecular Weight |
338.285
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)c(c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13F3N2O3/c1-9-5-6-13(12(7-9)14(22)23)21-15(24)20-11-4-2-3-10(8-11)16(17,18)19/h2-8H,1H3,(H,22,23)(H2,20,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFCPQZNCKYDWQT-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