SKF96365   Click here for help

GtoPdb Ligand ID: 2441

Synonyms: SK&F96365 | SK-96365 | SKF-96365
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 0
Rotatable bonds 10
Topological polar surface area 45.51
Molecular weight 366.19
XLogP 3.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1)CCCOC(c1ccc(cc1)OC)Cn1ccnc1
Isomeric SMILES COc1ccc(cc1)CCCOC(c1ccc(cc1)OC)Cn1ccnc1
InChI InChI=1S/C22H26N2O3/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19/h5-14,17,22H,3-4,15-16H2,1-2H3
InChI Key HLMBXBGDBBCYII-UHFFFAOYSA-N
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel