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Name | CID 44380257 |
---|---|
Molecular formula | C71H91ClN18O14 |
IUPAC name | (1R,6R,9R,15S,18R,21R,24R,29R,34R,37S,40R)-34-acetamido-37-[(4-chlorophenyl)methyl]-15-[3-(diaminomethylideneamino)propyl]-40-(1H-indol-3-ylmethyl)-29-methyl-18-(2-methylpropyl)-21-(naphthalen-2-ylmethyl)-3,8,14,17,20,23,28,31,35,38,41,43-dodecaoxo-4,7,13,16,19,22,27,30,36,39,42,44-dodecazatricyclo[22.18.2.09,13]tetratetracontane-6-carboxamide |
Molecular weight | 1456.07 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 16 |
XlogP | 0.8 |
Synonyms | N/A |
Inchi Key | BQEIBSPKOVEPOC-VIMAUCGZSA-N |
Inchi ID | InChI=1S/C71H91ClN18O14/c1-37(2)29-51-64(98)83-50(15-9-26-77-71(74)75)70(104)90-28-10-16-57(90)69(103)89-56(60(73)94)36-79-59(93)34-55-68(102)82-49(63(97)86-53(66(100)84-51)32-41-17-20-42-11-5-6-12-43(42)30-41)25-27-76-61(95)38(3)80-58(92)24-23-48(81-39(4)91)62(96)85-52(31-40-18-21-45(72)22-19-40)65(99)87-54(67(101)88-55)33-44-35-78-47-14-8-7-13-46(44)47/h5-8,11-14,17-22,30,35,37-38,48-57,78H,9-10,15-16,23-29,31-34,36H2,1-4H3,(H2,73,94)(H,76,95)(H,79,93)(H,80,92)(H,81,91)(H,82,102)(H,83,98)(H,84,100)(H,85,96)(H,86,97)(H,87,99)(H,88,101)(H,89,103)(H4,74,75,77)/t38-,48-,49-,50+,51-,52+,53-,54-,55-,56-,57-/m1/s1 |
PubChem CID | 44380257 |
ChEMBL | CHEMBL407361 |
IUPHAR | N/A |
BindingDB | 50085797 |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
30223 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
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