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Ligand

NameMLS002920666
Molecular formulaC12H7ClN4O6
IUPAC nameN-(4-chlorophenyl)-2,4,6-trinitroaniline
Molecular weight338.66
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
Synonyms4'-Chloro-2,4,6-trinitrodiphenylamine
BVQWERYAWIDLFA-UHFFFAOYSA-N
NSC-157487
A822488
cid_291920
[ Show all ]
Inchi KeyBVQWERYAWIDLFA-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H7ClN4O6/c13-7-1-3-8(4-2-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H
PubChem CID291920
ChEMBLCHEMBL1889401
IUPHARN/A
BindingDB91446
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
33982Galanin receptor type 3O60755GALR3Homo sapiens (Human)368

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