lamotrigine   Click here for help

GtoPdb Ligand ID: 2622

Synonyms: Lamictal®
Approved drug
lamotrigine is an approved drug (FDA (1994))
Compound class: Synthetic organic
Comment: Lamotrigine is an anticonvulsant drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 90.71
Molecular weight 255.01
XLogP 1.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl
Isomeric SMILES Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl
InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChI Key PYZRQGJRPPTADH-UHFFFAOYSA-N