(-)-Ro 363   Click here for help

GtoPdb Ligand ID: 5571

Synonyms: RO 363
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 100.41
Molecular weight 363.17
XLogP 1.93
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(CCNCC(COc2ccc(c(c2)O)O)O)ccc1OC
Isomeric SMILES COc1cc(CCNCC(COc2ccc(c(c2)O)O)O)ccc1OC
InChI InChI=1S/C19H25NO6/c1-24-18-6-3-13(9-19(18)25-2)7-8-20-11-14(21)12-26-15-4-5-16(22)17(23)10-15/h3-6,9-10,14,20-23H,7-8,11-12H2,1-2H3
InChI Key RFNBEBPVKCJZPV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]benzene-1,2-diol
Synonyms Click here for help
RO 363
Database Links Click here for help
CAS Registry No. 74513-77-2 (source: Scifinder)
GtoPdb PubChem SID 178102207
PubChem CID 156297
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