General Information of the Compound
| Compound ID |
CP0454915
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Nitro-2-[3-(3-trifluoromethyl-phenyl)-ureido]-benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H10F3N3O5
|
||||||||||||||||||
| Molecular Weight |
369.255
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H10F3N3O5/c16-15(17,18)8-2-1-3-9(6-8)19-14(24)20-12-7-10(21(25)26)4-5-11(12)13(22)23/h1-7H,(H,22,23)(H2,19,20,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UZTGAEZWQMNUBC-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