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Name | MLS002608817 |
---|---|
Molecular formula | C31H37N5O5 |
IUPAC name | 2-[(1S,12bS)-9-methoxy-12b-methyl-1-(morpholine-4-carbonyl)-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-pyridin-2-ylethyl)acetamide |
Molecular weight | 559.667 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 1.0 |
Synonyms | SMR001530046 HMS3102M21 CHEMBL3184184 |
Inchi Key | ACUDCEZEYQBXGB-AZDYFCNWSA-N |
Inchi ID | InChI=1S/C31H37N5O5/c1-31-25(30(39)35-13-15-41-16-14-35)17-20(18-27(37)33-11-8-21-5-3-4-10-32-21)29(38)36(31)12-9-23-24-19-22(40-2)6-7-26(24)34-28(23)31/h3-7,10,19-20,25,34H,8-9,11-18H2,1-2H3,(H,33,37)/t20?,25-,31+/m1/s1 |
PubChem CID | 44601753 |
ChEMBL | CHEMBL3184184 |
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 |
---|---|---|---|---|---|
463175 | 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