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Ligand

NameCHEMBL3964694
Molecular formulaC22H21Cl2F3N6O4
IUPAC nameN-[2-(carbamoylamino)-2-(2-chlorophenyl)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide
Molecular weight561.343
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.6
SynonymsBDBM190329
SCHEMBL15206554
US9180120, 33
Inchi KeyBDGLQVVZHIRVPK-DJNXLDHESA-N
Inchi IDInChI=1S/C22H21Cl2F3N6O4/c23-13-7-5-12(6-8-13)19-31-33(21(37)32(19)10-17(34)22(25,26)27)11-18(35)29-9-16(30-20(28)36)14-3-1-2-4-15(14)24/h1-8,16-17,34H,9-11H2,(H,29,35)(H3,28,30,36)/t16?,17-/m0/s1
PubChem CID56848555
ChEMBLCHEMBL3964694
IUPHARN/A
BindingDB190329
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
536503Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
536502Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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