You can:
Name | CMLDBU00002173 |
---|---|
Molecular formula | C37H46N4O4 |
IUPAC name | methyl (2S,5S,6S)-1-[4-[(E)-[(2S)-1-(2,3-dimethyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)propan-2-yl]oxyiminomethyl]benzoyl]-5-methyl-6-(4-methylphenyl)piperidine-2-carboxylate |
Molecular weight | 610.799 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 7.3 |
Synonyms | SMR000113079 MLS000439076 SR-05000000528 CHEMBL3194627 NCGC00181655-01 [ Show all ] |
Inchi Key | AGNFQBIQIBOCMT-KMMWKWRGSA-N |
Inchi ID | InChI=1S/C37H46N4O4/c1-24-10-15-30(16-11-24)35-25(2)12-19-33(37(43)44-6)41(35)36(42)31-17-13-29(14-18-31)22-38-45-27(4)23-40-20-8-7-9-32-34(40)21-26(3)28(5)39-32/h10-11,13-18,21-22,25,27,33,35H,7-9,12,19-20,23H2,1-6H3/b38-22+/t25-,27-,33-,35-/m0/s1 |
PubChem CID | 9556025 |
ChEMBL | CHEMBL3194627 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
5043 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218