5'-guanidinonaltrindole

Ligand id: 1669

Name: 5'-guanidinonaltrindole

Abbreviated name: GNTI

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 3
Topological polar surface area 133.12
Molecular weight 471.23
XLogP 1.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5,7,9,15(25),16,18-heptaen-7-yl]guanidine
Database Links
CAS Registry No. 219655-56-8 (source: Scifinder)
ChEMBL Ligand CHEMBL485832
PubChem CID 9826034
Search Google for chemical match using the InChIKey VLNHDKDBGWXJEE-GYHUNEDQSA-N
Search Google for chemicals with the same backbone VLNHDKDBGWXJEE
Search UniChem for chemical match using the InChIKey VLNHDKDBGWXJEE-GYHUNEDQSA-N
Search UniChem for chemicals with the same backbone VLNHDKDBGWXJEE
Wikipedia 5'-Guanidinonaltrindole