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Name | CHEMBL64770 |
---|---|
Molecular formula | C30H38N2O6 |
IUPAC name | 2-adamantyl N-[1-[[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-2-methyl-1-oxopropan-2-yl]carbamate |
Molecular weight | 522.642 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 5 |
XlogP | 3.7 |
Synonyms | [1-((1R,2R)-2-Hydroxy-1-hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester BDBM50289884 |
Inchi Key | CEYDBBQFSNUMDN-AYFZRRGRSA-N |
Inchi ID | InChI=1S/C30H38N2O6/c1-30(16-18-7-9-24(34)10-8-18,28(36)31-25(17-33)26(35)21-5-3-2-4-6-21)32-29(37)38-27-22-12-19-11-20(14-22)15-23(27)13-19/h2-10,19-20,22-23,25-27,33-35H,11-17H2,1H3,(H,31,36)(H,32,37)/t19?,20?,22?,23?,25-,26-,27?,30?/m1/s1 |
PubChem CID | 44303298 |
ChEMBL | CHEMBL64770 |
IUPHAR | N/A |
BindingDB | 50289884 |
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 |
---|---|---|---|---|---|
40394 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
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