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Ligand

NameCHEMBL2031274
Molecular formulaC27H29N3O6
IUPAC nameN-[(3-benzamidophenyl)carbamoyl]-3,4,5-triethoxybenzamide
Molecular weight491.544
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.8
SynonymsSCHEMBL12129936
Inchi KeyACWKZUDBYNPWJB-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N3O6/c1-4-34-22-15-19(16-23(35-5-2)24(22)36-6-3)26(32)30-27(33)29-21-14-10-13-20(17-21)28-25(31)18-11-8-7-9-12-18/h7-17H,4-6H2,1-3H3,(H,28,31)(H2,29,30,32,33)
PubChem CID44464379
ChEMBLCHEMBL2031274
IUPHARN/A
BindingDBN/A
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
1998Smoothened homologQ99835SMOHomo sapiens (Human)787

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