SDZ 205557   

GtoPdb Ligand ID: 258

Synonyms: SDZ-205557
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 64.79
Molecular weight 300.12
XLogP 2.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCN(CCOC(=O)c1cc(Cl)c(cc1OC)N)CC
Isomeric SMILES CCN(CCOC(=O)c1cc(Cl)c(cc1OC)N)CC
InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
InChI Key FFNWMBDISAYHDC-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-diethylaminoethyl 4-amino-5-chloro-2-methoxybenzoate
Synonyms
SDZ-205557
Database Links
BindingDB Ligand 50056401
CAS Registry No. 137196-67-9 (source: Scifinder)
ChEMBL Ligand CHEMBL287045
GtoPdb PubChem SID 135651032
PubChem CID 5191
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