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Ligand

NameCHEMBL475383
Molecular formulaC17H18ClN3O
IUPAC name1-[2-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenyl]-3-(4-chlorophenyl)urea
Molecular weight315.801
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP2.6
SynonymsBDBM50256910
trans-1-[2-(2-Aminomethylcyclopropyl)phenyl]-3-(4-chlorophenyl)urea Hydrochloride
CHEMBL1186719
Inchi KeyAMHSZSVGEOFFNO-ABAIWWIYSA-N
Inchi IDInChI=1S/C17H18ClN3O/c18-12-5-7-13(8-6-12)20-17(22)21-16-4-2-1-3-14(16)15-9-11(15)10-19/h1-8,11,15H,9-10,19H2,(H2,20,21,22)/t11-,15+/m1/s1
PubChem CID44572314
ChEMBLN/A
IUPHARN/A
BindingDB50256910
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
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GLASS IDNameUniProtGeneSpeciesLength
88935-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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