urea   

GtoPdb Ligand ID: 4539

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 69.11
Molecular weight 60.03
XLogP -1.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(=O)N
Isomeric SMILES NC(=O)N
InChI InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChI Key XSQUKJJJFZCRTK-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
urea
Database Links
CAS Registry No. 57-13-6 (source: Scifinder)
ChEBI CHEBI:16199
ChEMBL Ligand CHEMBL985
DrugBank Ligand DB03904
DrugCentral Ligand 4264
GtoPdb PubChem SID 178101260
PubChem CID 1176
RCSB PDB Ligand URE
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Wikipedia Urea

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Tocris
Urea
Cat. No. 5228