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Name | CHEMBL217123 |
---|---|
Molecular formula | C79H90N12O13 |
IUPAC name | (2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide |
Molecular weight | 1415.66 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 13 |
XlogP | 7.7 |
Synonyms | N/A |
Inchi Key | FEBYMDPUJOWHRT-AYBSQLMQSA-N |
Inchi ID | InChI=1S/C79H90N12O13/c1-47(2)37-67(79(104)91-36-18-29-69(91)78(103)82-48(3)70(80)95)89-74(99)63(40-51-21-10-6-11-22-51)86-76(101)66(44-57-45-81-60-28-17-16-27-59(57)60)88-73(98)65(42-53-31-34-58(94)35-32-53)87-77(102)68(46-92)90-75(100)64(41-52-23-12-7-13-24-52)85-72(97)62(39-50-19-8-5-9-20-50)84-71(96)61(83-49(4)93)43-54-30-33-55-25-14-15-26-56(55)38-54/h5-17,19-28,30-35,38,45,47-48,61-69,81,92,94H,18,29,36-37,39-44,46H2,1-4H3,(H2,80,95)(H,82,103)(H,83,93)(H,84,96)(H,85,97)(H,86,101)(H,87,102)(H,88,98)(H,89,99)(H,90,100)/t48-,61-,62-,63-,64-,65-,66-,67-,68-,69+/m0/s1 |
PubChem CID | 44376738 |
ChEMBL | CHEMBL217123 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
76100 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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