AM1241   

GtoPdb Ligand ID: 3316

Synonyms: AM 1241 | AM-1241
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 71.06
Molecular weight 503.07
XLogP 5.67
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1cc(ccc1I)N(=O)=O
Isomeric SMILES CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1cc(ccc1I)N(=O)=O
InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3
InChI Key ZUHIXXCLLBMBDW-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2-iodo-5-nitrophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
Synonyms
AM 1241 | AM-1241
Database Links
ChEMBL Ligand CHEMBL408430
GtoPdb PubChem SID 178100350
PubChem CID 10141893
Search Google for chemical match using the InChIKey ZUHIXXCLLBMBDW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZUHIXXCLLBMBDW
Search UniChem for chemical match using the InChIKey ZUHIXXCLLBMBDW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZUHIXXCLLBMBDW
Wikipedia AM-1241