molindone   

GtoPdb Ligand ID: 207

Synonyms: (+-)-molindone | EN-1733A | Moban®
molindone is an approved drug (FDA (1974))
Compound class: Synthetic organic
Comment: Marketed formulations may contain molindone hydrochloride (PubChem CID 9883259).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 45.33
Molecular weight 276.18
XLogP 1.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1
Isomeric SMILES CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1
InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
InChI Key KLPWJLBORRMFGK-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1974))
IUPAC Name
3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
International Nonproprietary Names
INN number INN
2376 molindone
Synonyms
(+-)-molindone | EN-1733A | Moban®
Database Links
BindingDB Ligand 50130290
CAS Registry No. 7416-34-4 (source: Scifinder)
ChEBI CHEBI:103799
ChEMBL Ligand CHEMBL460
DrugBank Ligand DB01618
DrugCentral Ligand 1830
GtoPdb PubChem SID 135650621
PubChem CID 23897
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Wikipedia Molindone