[3H]AZ11637326   

GtoPdb Ligand ID: 3971

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 25.36
Molecular weight 310.15
XLogP 3.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1cccc(c1)c1cnc2c(c1)CC1(O2)CN2CCC1CC2
Isomeric SMILES Fc1cccc(c1)c1cnc2c(c1)C[C@]1(O2)CN2CCC1CC2
InChI InChI=1S/C19H19FN2O/c20-17-3-1-2-13(9-17)15-8-14-10-19(23-18(14)21-11-15)12-22-6-4-16(19)5-7-22/h1-3,8-9,11,16H,4-7,10,12H2/t19-/m0/s1
InChI Key MRVNNESNVNUKCV-IBGZPJMESA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel