MPDT   

GtoPdb Ligand ID: 71

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 28.26
Molecular weight 294.17
XLogP 3.91
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc2c(c1)c(CCN(C)C)c([nH]2)c1ccccc1
Isomeric SMILES COc1ccc2c(c1)c(CCN(C)C)c([nH]2)c1ccccc1
InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
InChI Key VSGPGYWZVPDDSK-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine
Database Links
CAS Registry No. 17375-63-2 (source: Scifinder)
ChEMBL Ligand CHEMBL7318
GtoPdb PubChem SID 135650627
PubChem CID 6918515
Search Google for chemical match using the InChIKey VSGPGYWZVPDDSK-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey VSGPGYWZVPDDSK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VSGPGYWZVPDDSK

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Tocris
BGC 20-761
Cat. No. 3326