Lysergide   

GtoPdb Ligand ID: 17

Abbreviated name: LSD
Synonyms: (+)-lysergic acid diethylamide | N,N-diethyllysergamide
Compound class: Synthetic organic
Comment: Lysergic acid diethylamide (LSD), also known as acid, is an psychedelic drug known for its psychological effects. In 2017 this was crystalised in complex with the human serotonin receptor 5-HT2B. [7]
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 39.34
Molecular weight 323.2
XLogP 2.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCN(C(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC
Isomeric SMILES CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC
InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
InChI Key VAYOSLLFUXYJDT-RDTXWAMCSA-N