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Name | CHEMBL56984 |
---|---|
Molecular formula | C34H44ClNO11 |
IUPAC name | bis[1-(2,2-dimethylpropanoyloxy)ethyl] 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 678.172 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 2 |
XlogP | 7.0 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis[1-(2,2-dimethylpropanoyloxy)ethyl] ester |
Inchi Key | JWTAFQLIDQSBBE-XRWSQRTLSA-N |
Inchi ID | InChI=1S/C34H44ClNO11/c1-19(36-18-25(37)23-11-10-12-24(35)17-23)15-22-13-14-26-27(16-22)47-34(46-26,30(40)44-20(2)42-28(38)32(4,5)6)31(41)45-21(3)43-29(39)33(7,8)9/h10-14,16-17,19-21,25,36-37H,15,18H2,1-9H3/t19-,20?,21?,25+,34?/m1/s1 |
PubChem CID | 44300318 |
ChEMBL | CHEMBL56984 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | 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 |
---|---|---|---|---|---|
161924 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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