minodronic acid   

GtoPdb Ligand ID: 3164

Synonyms: BPH 261 | ONO 5920 | YH 529
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 172.21
Molecular weight 322.01
XLogP -2.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OP(=O)(C(P(=O)(O)O)(Cc1cnc2n1cccc2)O)O
Isomeric SMILES OP(=O)(C(P(=O)(O)O)(Cc1cnc2n1cccc2)O)O
InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
InChI Key VMMKGHQPQIEGSQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosphonoethyl)phosphonic acid
International Nonproprietary Names
INN number INN
7651 minodronic acid
Synonyms
BPH 261 | ONO 5920 | YH 529
Database Links
CAS Registry No. 180064-38-4 (source: Scifinder)
ChEMBL Ligand CHEMBL319144
DrugCentral Ligand 4074
GtoPdb PubChem SID 135649663
PubChem CID 130956
RCSB PDB Ligand M0N
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SynPHARM 7125 (in complex with farnesyl diphosphate synthase)
Wikipedia Minodronic_acid