LLX
N-(4-aminobiphenyl-3-yl)benzamide
Created: | 2010-04-06 |
Last modified: | 2011-06-04 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 38 |
Chiral Atom Count | 0 |
Bond Count | 40 |
Aromatic Bond Count | 19 |
Chemical Component Summary | |
---|---|
Name | N-(4-aminobiphenyl-3-yl)benzamide |
Systematic Name (OpenEye OEToolkits) | N-(2-azanyl-5-phenyl-phenyl)benzamide |
Formula | C19 H16 N2 O |
Molecular Weight | 288.343 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1cc(ccc1N)c2ccccc2)c3ccccc3 |
SMILES | CACTVS | 3.370 | Nc1ccc(cc1NC(=O)c2ccccc2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N |
Canonical SMILES | CACTVS | 3.370 | Nc1ccc(cc1NC(=O)c2ccccc2)c3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N |
InChI | InChI | 1.03 | InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22) |
InChIKey | InChI | 1.03 | ZWLFHHHQRUYIBT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
Pharos | CHEMBL271741 |
PubChem | 44454143 |
ChEMBL | CHEMBL271741 |