A1CFF

N-cyclohexylurea

Created:	2025-06-09
Last modified:	2025-11-05

Find Related PDB Entry
1 entries where A1CFF 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	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	0

2D diagram of A1CFF

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-cyclohexylurea
Systematic Name (OpenEye OEToolkits)	1-cyclohexylurea
Formula	C₇ H₁₄ N₂ O
Molecular Weight	142.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(N)NC1CCCCC1
SMILES	CACTVS	3.385	NC(=O)NC1CCCCC1
SMILES	OpenEye OEToolkits	3.1.0.0	C1CCC(CC1)NC(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)NC1CCCCC1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C1CCC(CC1)NC(=O)N
InChI	InChI	1.06	InChI=1S/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)
InChIKey	InChI	1.06	WUESWDIHTKHGQA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	69684

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.