AM-630   

GtoPdb Ligand ID: 750

Synonyms: 6-iodopravadoline | AM 630 | AM630
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 43.7
Molecular weight 504.09
XLogP 4.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc(cc1)C(=O)c1c(C)n(c2c1ccc(c2)I)CCN1CCOCC1
Isomeric SMILES COc1ccc(cc1)C(=O)c1c(C)n(c2c1ccc(c2)I)CCN1CCOCC1
InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
InChI Key JHOTYHDSLIUKCJ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[6-iodo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
Synonyms
6-iodopravadoline | AM 630 | AM630
Database Links
BindingDB Ligand 50160434
ChEMBL Ligand CHEMBL181633
GtoPdb PubChem SID 135649929
PubChem CID 4302963
Search Google for chemical match using the InChIKey JHOTYHDSLIUKCJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JHOTYHDSLIUKCJ
Search UniChem for chemical match using the InChIKey JHOTYHDSLIUKCJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JHOTYHDSLIUKCJ
Wikipedia AM-630

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Tocris
AM 630
Cat. No. 1120