IIK7   Click here for help

GtoPdb Ligand ID: 1350

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 348.18
XLogP 4.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCC(=O)NCCc1c2c3ccccc3Cn2c2c1cc(OC)cc2
Isomeric SMILES CCCC(=O)NCCc1c2c3ccccc3Cn2c2c1cc(OC)cc2
InChI InChI=1S/C22H24N2O2/c1-3-6-21(25)23-12-11-18-19-13-16(26-2)9-10-20(19)24-14-15-7-4-5-8-17(15)22(18)24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)
InChI Key RQYIUGOJQFWLAZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-(2-methoxy-6H-isoindolo[2,3-a]indol-11-yl)ethyl]butanamide
Database Links Click here for help
BindingDB Ligand 50086013
ChEMBL Ligand CHEMBL10009
GtoPdb PubChem SID 135650375
PubChem CID 4172142
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