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Name | BDBM50290485 |
---|---|
Molecular formula | C29H36N6O4 |
IUPAC name | 2-[3-[4-hydroxy-3-[(2R)-3-(4-hydroxyphenyl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine |
Molecular weight | 532.645 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 5 |
XlogP | 2.2 |
Synonyms | 5-[3-amino(imino)methylaminopropyl]-3-[1-(4-hydroxybenzyl)-2-oxo-2-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-yl-(1R)-ethyl]-(5R)-tetrahydro-1H-2,4-imidazoledione |
Inchi Key | BKRPHWPSTZZSOG-XMMPIXPASA-N |
Inchi ID | InChI=1S/C29H36N6O4/c30-27(31)32-15-3-6-23-25(37)35(28(39)33-23)24(18-19-7-9-21(36)10-8-19)26(38)34-16-13-29(14-17-34)12-11-20-4-1-2-5-22(20)29/h1-2,4-5,7-10,24,36-37H,3,6,11-18H2,(H,33,39)(H4,30,31,32)/t24-/m1/s1 |
PubChem CID | 91934582 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50290485 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
459444 | C5a anaphylatoxin chemotactic receptor 1 | P21730 | C5AR1 | Homo sapiens (Human) | 350 |
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