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 : AP

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2
2	InChIKey	InChI	1.03	YZVWKHVRBDQPMQ-UHFFFAOYSA-N
3	SMILES	ACDLabs	10.04	c4cc2ccc1ccc(N)c3c1c2c(cc3)c4
4	SMILES	CACTVS	3.341	Nc1ccc2ccc3cccc4ccc1c2c34
5	SMILES	OpenEye OEToolkits	1.5.0	c1cc2ccc3ccc(c4c3c2c(c1)cc4)N
6	Canonical SMILES	CACTVS	3.341	Nc1ccc2ccc3cccc4ccc1c2c34
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2ccc3ccc(c4c3c2c(c1)cc4)N