[3H]L655708   

GtoPdb Ligand ID: 4363

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 73.14
Molecular weight 341.14
XLogP 3.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC
Isomeric SMILES CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC
InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3
InChI Key YKYOQIXTECBVBB-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel