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Name | CHEMBL2152369 |
---|---|
Molecular formula | C23H31N3O4 |
IUPAC name | (2R,6S,8E)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione |
Molecular weight | 413.518 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 1.3 |
Synonyms | BDBM50392969 SCHEMBL17515417 |
Inchi Key | HSBQIJGEOSTLSE-HELANRRESA-N |
Inchi ID | InChI=1S/C23H31N3O4/c1-25-12-14-26(15-13-25)21(27)16-19-10-6-3-7-11-22(28)30-20(17-24-23(19)29)18-8-4-2-5-9-18/h2-6,8-9,19-20H,7,10-17H2,1H3,(H,24,29)/b6-3+/t19-,20-/m0/s1 |
PubChem CID | 71460283 |
ChEMBL | CHEMBL2152369 |
IUPHAR | N/A |
BindingDB | 50392969 |
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 |
---|---|---|---|---|---|
122609 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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