AMMTC   Click here for help

GtoPdb Ligand ID: 3385

Compound class: Synthetic organic
Comment: AMMTC is a mixture of enantiomers (+)-AMMTC and (-)-AMMTC
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 43.26
Molecular weight 286.17
XLogP 2.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)c1C(CCCc1n2C)CNC(=O)C
Isomeric SMILES COc1ccc2c(c1)c1C(CCCc1n2C)CNC(=O)C
InChI InChI=1S/C17H22N2O2/c1-11(20)18-10-12-5-4-6-16-17(12)14-9-13(21-3)7-8-15(14)19(16)2/h7-9,12H,4-6,10H2,1-3H3,(H,18,20)
InChI Key CYOQJCSHEFAKNY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(6-methoxy-9-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methyl]acetamide
Database Links Click here for help
ChEMBL Ligand CHEMBL53824
GtoPdb PubChem SID 178100402
PubChem CID 5311004
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