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Ligand

NameCHEMBL229032
Molecular formulaC25H25Cl2N5O7
IUPAC nameN-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-dinitrobenzamide
Molecular weight578.403
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.1
SynonymsN/A
Inchi KeyJHUKJMFMSFZCSW-KISUKSLOSA-N
Inchi IDInChI=1S/C25H25Cl2N5O7/c1-30(25(35)16-12-18(31(36)37)14-19(13-16)32(38)39)17(10-15-5-7-20(26)21(27)11-15)6-8-23(33)29-22-4-2-3-9-28-24(22)34/h5-8,11-14,17,22H,2-4,9-10H2,1H3,(H,28,34)(H,29,33)/b8-6+/t17-,22+/m0/s1
PubChem CID44426419
ChEMBLCHEMBL229032
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
151307Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
151306Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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