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Name | CHEMBL2112250 |
---|---|
Molecular formula | C42H54N8O6 |
IUPAC name | (1R,8S,11R,17S,20R,23S)-23-[(2S)-butan-2-yl]-11-(1H-imidazol-5-ylmethyl)-20-(naphthalen-1-ylmethyl)-3,10,13,19,22,25-hexazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone |
Molecular weight | 766.944 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 4.0 |
Synonyms | BDBM50406697 |
Inchi Key | FZODYNLXPKUMGF-YCTRJVDCSA-N |
Inchi ID | InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-20-9-7-17-35(50)41(55)49-19-8-6-16-33(49)39(53)46-32(23-29-24-43-25-44-29)40(54)48-21-11-18-34(48)38(52)45-31(37(51)47-36)22-28-14-10-13-27-12-4-5-15-30(27)28/h4-5,10,12-15,24-26,31-36H,3,6-9,11,16-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1 |
PubChem CID | 10462867 |
ChEMBL | CHEMBL2112250 |
IUPHAR | N/A |
BindingDB | 50406697 |
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 |
---|---|---|---|---|---|
91110 | Oxytocin receptor | P70536 | Oxtr | Rattus norvegicus (Rat) | 388 |
91111 | Vasopressin V1a receptor | P30560 | Avpr1a | Rattus norvegicus (Rat) | 424 |
91112 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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