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Name | CHEMBL470856 |
---|---|
Molecular formula | C27H32N2O4S2 |
IUPAC name | 4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-N-methylsulfonyl-2-propan-2-ylsulfanylbenzamide |
Molecular weight | 512.683 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.4 |
Synonyms | BDBM50277506 SCHEMBL4585630 4''-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-3-(isopropylsulfanyl)-N-(methylsulfonyl)biphenyl-4-carboxamide Hydrochloride CHEMBL1186583 |
Inchi Key | HXFKZSVPCHUKBX-VWLOTQADSA-N |
Inchi ID | InChI=1S/C27H32N2O4S2/c1-19(2)34-26-17-23(13-14-24(26)27(31)29-35(3,32)33)21-11-9-20(10-12-21)15-16-28-18-25(30)22-7-5-4-6-8-22/h4-14,17,19,25,28,30H,15-16,18H2,1-3H3,(H,29,31)/t25-/m0/s1 |
PubChem CID | 11352782 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50277506 |
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 |
---|---|---|---|---|---|
126159 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
460376 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
126160 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
126161 | Beta-3 adrenergic receptor | O02662 | ADRB3 | Canis lupus familiaris (Dog) | 405 |
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