Org27569   Click here for help

GtoPdb Ligand ID: 7851

Synonyms: Org 27569
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 48.13
Molecular weight 409.19
XLogP 5.92
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCc1c([nH]c2c1cc(Cl)cc2)C(=O)NCCc1ccc(cc1)N1CCCCC1
Isomeric SMILES CCc1c([nH]c2c1cc(Cl)cc2)C(=O)NCCc1ccc(cc1)N1CCCCC1
InChI InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
InChI Key AHFZDNYNXFMRFQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
Synonyms Click here for help
Org 27569
Database Links Click here for help
CAS Registry No. 868273-06-7
ChEMBL Ligand CHEMBL1553629
GtoPdb PubChem SID 223366181
PubChem CID 44828492
RCSB PDB Ligand 9GL
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Wikipedia Org_27569

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Org 27569
Cat. No. 2957