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Name | CHEMBL2152371 |
---|---|
Molecular formula | C22H29NO5 |
IUPAC name | tert-butyl 2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetate |
Molecular weight | 387.476 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.8 |
Synonyms | tert-butyl 2-((3R,11S,E)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl)acetate BJRLEQBLNKLHFN-ZGCXVMDJSA-N SCHEMBL2191467 SCHEMBL2191473 BDBM50392971 |
Inchi Key | BJRLEQBLNKLHFN-ZGCXVMDJSA-N |
Inchi ID | InChI=1S/C22H29NO5/c1-22(2,3)28-20(25)14-17-12-8-5-9-13-19(24)23-18(15-27-21(17)26)16-10-6-4-7-11-16/h4-8,10-11,17-18H,9,12-15H2,1-3H3,(H,23,24)/b8-5+/t17-,18-/m0/s1 |
PubChem CID | 67311782 |
ChEMBL | CHEMBL2152371 |
IUPHAR | N/A |
BindingDB | 50392971 |
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 |
---|---|---|---|---|---|
25388 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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