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Ligand

NameCHEMBL231261
Molecular formulaC29H37Cl2N5O3S
IUPAC name1-[(3,4-dichlorophenyl)carbamothioylamino]-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
Molecular weight606.607
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP4.5
SynonymsN/A
Inchi KeyCVURWAPIHYSXSB-RUZDIDTESA-N
Inchi IDInChI=1S/C29H37Cl2N5O3S/c30-23-10-9-22(20-24(23)31)33-28(40)35-29(11-4-5-12-29)27(38)34-25(19-21-7-2-1-3-8-21)26(37)32-13-6-14-36-15-17-39-18-16-36/h1-3,7-10,20,25H,4-6,11-19H2,(H,32,37)(H,34,38)(H2,33,35,40)/t25-/m1/s1
PubChem CID23625784
ChEMBLCHEMBL231261
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51791Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
51792Substance-K receptorP21452TACR2Homo sapiens (Human)398

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