dizocilpine   Click here for help

GtoPdb Ligand ID: 2403

Synonyms: MK-801
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 12.03
Molecular weight 221.12
XLogP 3.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC12NC(c3c2cccc3)Cc2c1cccc2
Isomeric SMILES C[C@]12N[C@@H](c3c2cccc3)Cc2c1cccc2
InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
InChI Key LBOJYSIDWZQNJS-CVEARBPZSA-N
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
6320 dizocilpine
Synonyms Click here for help
MK-801
Database Links Click here for help
CAS Registry No. 77086-21-6 (source: Scifinder)
ChEMBL Ligand CHEMBL284237
GtoPdb PubChem SID 135650617
PubChem CID 180081
RCSB PDB Ligand BMK
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Wikipedia Dizocilpine