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Name | CHEMBL436705 |
---|---|
Molecular formula | C79H102N12O13 |
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]-6-(2,2-dimethylpropylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide |
Molecular weight | 1427.76 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 13 |
XlogP | 8.0 |
Synonyms | N/A |
Inchi Key | CPVXEZWWYZBHAR-JRQZPDGJSA-N |
Inchi ID | InChI=1S/C79H102N12O13/c1-49(2)40-66(78(104)91-39-21-31-68(91)77(103)82-50(3)69(80)95)89-74(100)63(43-53-24-13-9-14-25-53)85-70(96)60(30-19-20-38-81-48-79(5,6)7)84-72(98)65(45-55-33-36-59(94)37-34-55)88-76(102)67(47-92)90-75(101)64(44-54-26-15-10-16-27-54)87-73(99)62(42-52-22-11-8-12-23-52)86-71(97)61(83-51(4)93)46-56-32-35-57-28-17-18-29-58(57)41-56/h8-18,22-29,32-37,41,49-50,60-68,81,92,94H,19-21,30-31,38-40,42-48H2,1-7H3,(H2,80,95)(H,82,103)(H,83,93)(H,84,98)(H,85,96)(H,86,97)(H,87,99)(H,88,102)(H,89,100)(H,90,101)/t50-,60-,61-,62-,63-,64-,65-,66-,67-,68+/m0/s1 |
PubChem CID | 44376854 |
ChEMBL | CHEMBL436705 |
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 |
---|---|---|---|---|---|
47738 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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