K185   Click here for help

GtoPdb Ligand ID: 1359

Synonyms: K 185 | K-185
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 376.22
XLogP 5.91
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2
Isomeric SMILES CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2
InChI InChI=1S/C24H28N2O2/c1-3-7-23(27)25-14-13-20-21-16-18(28-2)11-12-22(21)26-15-6-9-17-8-4-5-10-19(17)24(20)26/h4-5,8,10-12,16H,3,6-7,9,13-15H2,1-2H3,(H,25,27)
InChI Key SPIFQXPRSJKRAO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-(11-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]butanamide
Synonyms Click here for help
K 185 | K-185
Database Links Click here for help
BindingDB Ligand 50086001
CAS Registry No. 244160-11-0 (source: Scifinder)
ChEMBL Ligand CHEMBL274438
GtoPdb PubChem SID 135650451
PubChem CID 5311198
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