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Name | CHEMBL2152368 |
---|---|
Molecular formula | C18H22N2O4 |
IUPAC name | N-[(3R,8E,11R)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide |
Molecular weight | 330.384 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 1.4 |
Synonyms | AINZSMIJPNBGRE-DBLORFJXSA-N SCHEMBL17497247 BDBM50392968 SCHEMBL17497248 BRD-K90370028-001-01-9 [ Show all ] |
Inchi Key | AINZSMIJPNBGRE-DBLORFJXSA-N |
Inchi ID | InChI=1S/C18H22N2O4/c1-13(21)19-15-10-6-3-7-11-17(22)20-16(12-24-18(15)23)14-8-4-2-5-9-14/h2-6,8-9,15-16H,7,10-12H2,1H3,(H,19,21)(H,20,22)/b6-3+/t15-,16+/m1/s1 |
PubChem CID | 70680404 |
ChEMBL | CHEMBL2152368 |
IUPHAR | N/A |
BindingDB | 50392968 |
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 |
---|---|---|---|---|---|
6389 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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