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Name | CHEMBL60626 |
---|---|
Molecular formula | C38H36ClNO11 |
IUPAC name | bis(1-benzoyloxyethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 718.152 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 2 |
XlogP | 7.5 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis[1-(benzoyloxy)ethyl] ester |
Inchi Key | HCQVPOVNXYRCSM-TVTQUPRKSA-N |
Inchi ID | InChI=1S/C38H36ClNO11/c1-23(40-22-31(41)29-15-10-16-30(39)21-29)19-26-17-18-32-33(20-26)51-38(50-32,36(44)48-24(2)46-34(42)27-11-6-4-7-12-27)37(45)49-25(3)47-35(43)28-13-8-5-9-14-28/h4-18,20-21,23-25,31,40-41H,19,22H2,1-3H3/t23-,24?,25?,31+,38?/m1/s1 |
PubChem CID | 44300588 |
ChEMBL | CHEMBL60626 |
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 |
---|---|---|---|---|---|
111534 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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