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Ligand

NameCHEMBL93603
Molecular formulaC32H27ClFN3O3
IUPAC nameN-[4-[(4aS)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepine-6-carbonyl]-3-chlorophenyl]-4-fluoro-2-phenylbenzamide
Molecular weight556.034
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
Synonyms5-Fluoro-biphenyl-2-carboxylic acid [3-chloro-4-((S)-3,4,11,11a-tetrahydro-1H,5H-2-oxa-4a,10-diaza-dibenzo[a,d]cycloheptene-10-carbonyl)-phenyl]-amide
BDBM50146309
Inchi KeyBIZKRBBLYHMLOO-VWLOTQADSA-N
Inchi IDInChI=1S/C32H27ClFN3O3/c33-29-17-24(35-31(38)26-12-10-23(34)16-28(26)21-6-2-1-3-7-21)11-13-27(29)32(39)37-19-25-20-40-15-14-36(25)18-22-8-4-5-9-30(22)37/h1-13,16-17,25H,14-15,18-20H2,(H,35,38)/t25-/m0/s1
PubChem CID44325362
ChEMBLCHEMBL93603
IUPHARN/A
BindingDB50146309
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24887Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
24886Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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