urea   Click here for help

GtoPdb Ligand ID: 4539

PDB Ligand
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2D Structure
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Physico-chemical Properties
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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
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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 Click here for help
Compound class Metabolite or derivative
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
urea
Database Links Click here for help
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