[3H]prazosin   Click here for help

GtoPdb Ligand ID: 5385

Synonyms: [3H]-prazosin
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 106.95
Molecular weight 383.16
XLogP 1.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1
Isomeric SMILES COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1
InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
InChI Key IENZQIKPVFGBNW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-{4-[(furan-2-yl)carbonyl]piperazin-1-yl}-6,7-dimethoxyquinazolin-4-amine
Synonyms Click here for help
[3H]-prazosin
Database Links Click here for help
ChEMBL Ligand CHEMBL2
DrugCentral Ligand 4209
GtoPdb PubChem SID 178102043
PubChem CID 4893
RCSB PDB Ligand XRA
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