FJZ

N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide

Created:	2010-04-01
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where FJZ is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	5

2D diagram of FJZ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
Systematic Name (OpenEye OEToolkits)	N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
Formula	C₁₅ H₂₄ N₄ S
Molecular Weight	292.443
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	S=C(NC1CCCCC1)N3CCC(c2cncn2)CC3
SMILES	CACTVS	3.370	S=C(NC1CCCCC1)N2CCC(CC2)c3[nH]cnc3
SMILES	OpenEye OEToolkits	1.7.0	c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3
Canonical SMILES	CACTVS	3.370	S=C(NC1CCCCC1)N2CCC(CC2)c3[nH]cnc3
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3
InChI	InChI	1.03	InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
InChIKey	InChI	1.03	QKDDJDBFONZGBW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL260374
PubChem	3035905, 5450
ChEMBL	CHEMBL260374
ChEBI	CHEBI:81391

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.