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Ligand

NameCID 45271543
Molecular formulaC28H27ClFN3O
IUPAC name6-(2-chloro-6-fluorophenyl)-9-[4-(dimethylamino)phenyl]-3-methyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Molecular weight475.992
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.0
SynonymsN/A
Inchi KeyCPBYIULRURBMEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27ClFN3O/c1-16-7-12-22-23(13-16)32-28(26-20(29)5-4-6-21(26)30)27-24(31-22)14-18(15-25(27)34)17-8-10-19(11-9-17)33(2)3/h4-13,18,28,31-32H,14-15H2,1-3H3
PubChem CID45271543
ChEMBLCHEMBL551917
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
47219Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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