cimadronate   

GtoPdb Ligand ID: 3174

Synonyms: cimadronic acid | icandronate | incadronic acid | YM-175
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 146.71
Molecular weight 273.05
XLogP -2.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OP(=O)(C(P(=O)(O)O)NC1CCCCC1)O
Isomeric SMILES OP(=O)(C(P(=O)(O)O)NC1CCCCC1)O
InChI InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6/h6-8H,1-5H2,(H2,9,10,11)(H2,12,13,14)
InChI Key GBBBPWVJGMFZGX-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[(cyclohexylamino)(phosphono)methyl]phosphonic acid
Synonyms
cimadronic acid | icandronate | incadronic acid | YM-175
Database Links
CAS Registry No. 124351-85-5 (source: Scifinder)
ChEMBL Ligand CHEMBL56253
GtoPdb PubChem SID 135651341
PubChem CID 405386
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Search UniChem for chemicals with the same backbone GBBBPWVJGMFZGX