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 : FDR

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C10H10N2OS/c1-5-11-9(13)8-6-3-2-4-7(6)14-10(8)12-5/h2-4H2,1H3,(H,11,12,13)
2	InChIKey	InChI	1.03	SSAMSKJKRMKXFV-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O=C1c2c3c(sc2N=C(N1)C)CCC3
4	SMILES	CACTVS	3.370	CC1=Nc2sc3CCCc3c2C(=O)N1
5	SMILES	OpenEye OEToolkits	1.7.2	CC1=Nc2c(c3c(s2)CCC3)C(=O)N1
6	Canonical SMILES	CACTVS	3.370	CC1=Nc2sc3CCCc3c2C(=O)N1
7	Canonical SMILES	OpenEye OEToolkits	1.7.2	CC1=Nc2c(c3c(s2)CCC3)C(=O)N1