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Ligand

NameMLS-0240968.0001
Molecular formulaC21H30N8O2
IUPAC nameN-[3-(diethylamino)propyl]-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide
Molecular weight426.525
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.0
SynonymsZINC4958833
cid_16009021
N-[3-(diethylamino)propyl]-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamide
BRD-K59908227-001-04-8
MCULE-7536109412
[ Show all ]
Inchi KeyAALPWUGBAOXTOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H30N8O2/c1-4-28(5-2)14-8-13-22-18(30)11-12-19(31)25-26-21-24-17-10-7-6-9-16(17)20-23-15(3)27-29(20)21/h6-7,9-10H,4-5,8,11-14H2,1-3H3,(H,22,30)(H,24,26)(H,25,31)
PubChem CID16009021
ChEMBLCHEMBL1413142
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
308Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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