cyclocreatine   Click here for help

GtoPdb Ligand ID: 5491

Synonyms: AM 285
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 78.92
Molecular weight 143.07
XLogP -2.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC1=NCCN1CC(=O)O
Isomeric SMILES NC1=NCCN1CC(=O)O
InChI InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)
InChI Key AMHZIUVRYRVYBA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(2-amino-4,5-dihydro-1H-imidazol-1-yl)acetic acid
Synonyms Click here for help
AM 285
Database Links Click here for help
CAS Registry No. 35404-50-3
ChEMBL Ligand CHEMBL179900
GtoPdb PubChem SID 178102138
PubChem CID 2896
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