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Name | MLS002603684 |
---|---|
Molecular formula | C30H40N2O6 |
IUPAC name | N-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[[(2R,5S)-5-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]oxolan-2-yl]methyl]benzamide |
Molecular weight | 524.658 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.6 |
Synonyms | CHEMBL1713485 SMR001522414 2-(4-Methoxyphenyl)-2-[benzoyl[[(2S,2'S)-octahydro-5'alpha-(hydroxymethyl)-2,2'-bifuran-5alpha-yl]methyl]amino]-N-tert-butylacetamide HMS3096F10 UPCMLD23AJKM008639:001 |
Inchi Key | AEHHIWZVERCFNZ-HKQFDGPLSA-N |
Inchi ID | InChI=1S/C30H40N2O6/c1-30(2,3)31-28(34)27(20-10-12-22(36-4)13-11-20)32(29(35)21-8-6-5-7-9-21)18-23-14-16-25(37-23)26-17-15-24(19-33)38-26/h5-13,23-27,33H,14-19H2,1-4H3,(H,31,34)/t23-,24-,25+,26+,27?/m1/s1 |
PubChem CID | 42627847 |
ChEMBL | CHEMBL1713485 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
463307 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218