VER-3323   Click here for help

GtoPdb Ligand ID: 168

Synonyms: Lopac-V-1889
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 2
Topological polar surface area 29.26
Molecular weight 254.04
XLogP 2.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(CN1CCc2c1cc(Br)cc2)N
Isomeric SMILES C[C@@H](CN1CCc2c1cc(Br)cc2)N
InChI InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
InChI Key QGRQJMXAQYGAKK-QMMMGPOBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
Synonyms Click here for help
Lopac-V-1889
Database Links Click here for help
BindingDB Ligand 50144840
CAS Registry No. 259857-99-3 (source: Scifinder)
ChEMBL Ligand CHEMBL309760
GtoPdb PubChem SID 135651304
PubChem CID 6604042
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Wikipedia VER-3323