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Name | CHEMBL2152367 |
---|---|
Molecular formula | C17H21NO3 |
IUPAC name | (3R,8E,11R)-11-methyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione |
Molecular weight | 287.359 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 2.6 |
Synonyms | SCHEMBL17497783 AFIXJTADPDHGEE-MWDOINLKSA-N (3R,11R,E)-11-methyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione BDBM50392967 SCHEMBL17497777 |
Inchi Key | AFIXJTADPDHGEE-MWDOINLKSA-N |
Inchi ID | InChI=1S/C17H21NO3/c1-13-8-4-2-7-11-16(19)18-15(12-21-17(13)20)14-9-5-3-6-10-14/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,18,19)/b4-2+/t13-,15+/m1/s1 |
PubChem CID | 71454801 |
ChEMBL | CHEMBL2152367 |
IUPHAR | N/A |
BindingDB | 50392967 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
4198 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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