Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : 5WW

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19)
2	InChIKey	InChI	1.03	MMTKUKSRLAPBPM-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O=C2c3cccc(c3C=C(c1ccc(OC)cc1)N2)N
4	SMILES	CACTVS	3.385	COc1ccc(cc1)C2=Cc3c(N)cccc3C(=O)N2
5	SMILES	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2
6	Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)C2=Cc3c(N)cccc3C(=O)N2
7	Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2