UCM 454   Click here for help

GtoPdb Ligand ID: 7783

Synonyms: UCM-454 | UCM454
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 43.26
Molecular weight 356.13
XLogP 4.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC(=O)NCc1cc2c(n1Cc1ccc(cc1)Cl)cccc2OC
Isomeric SMILES CCC(=O)NCc1cc2c(n1Cc1ccc(cc1)Cl)cccc2OC
InChI InChI=1S/C20H21ClN2O2/c1-3-20(24)22-12-16-11-17-18(5-4-6-19(17)25-2)23(16)13-14-7-9-15(21)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,22,24)
InChI Key XXXKKZBZKUDKMA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[[1-[(4-chlorophenyl)methyl]-4-methoxyindol-2-yl]methyl]propanamide
Synonyms Click here for help
UCM-454 | UCM454
Database Links Click here for help
Specialist databases
GPCRdb Ligand UCM 454
Other databases
CAS Registry No. 364629-05-0 (source: Scifinder)
ChEMBL Ligand CHEMBL33185
GtoPdb PubChem SID 223366116
PubChem CID 10428383
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UniChem Connectivity Search for chemical match using the InChIKey XXXKKZBZKUDKMA-UHFFFAOYSA-N