U92016A   

GtoPdb Ligand ID: 30

Synonyms: U-92,016-A | U-92016A
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 42.82
Molecular weight 295.2
XLogP 3.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCN(C1CCc2c(C1)c1cc([nH]c1cc2)C#N)CCC
Isomeric SMILES CCCN([C@@H]1CCc2c(C1)c1cc([nH]c1cc2)C#N)CCC
InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m1/s1
InChI Key WDDZPZKGLZNGEH-MRXNPFEDSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carbonitrile
Synonyms
U-92,016-A | U-92016A
Database Links
BindingDB Ligand 50037272
CAS Registry No. 136924-88-4 (source: Scifinder)
ChEMBL Ligand CHEMBL71920
GtoPdb PubChem SID 135651294
PubChem CID 9904242
Search Google for chemical match using the InChIKey WDDZPZKGLZNGEH-MRXNPFEDSA-N
Search Google for chemicals with the same backbone WDDZPZKGLZNGEH
Search UniChem for chemical match using the InChIKey WDDZPZKGLZNGEH-MRXNPFEDSA-N
Search UniChem for chemicals with the same backbone WDDZPZKGLZNGEH
Wikipedia U-92,016-A