ISDA: A1BWM

Atom Indices

Bond Indices

Chemical Name and Ids:

Chemical ID :

A1BWM

IUPAC Name :

5-[(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl)amino]-3,3-dimethyl-2-benzofuran-1(3H)-one

Synonyms :

Chemical Database ID Mapping:

PubChem :

142587303

SureChEMBL :

SCHEMBL22773142

Physiochemical Descriptor Information:

Formula :

C29 H30 N6 O5

Molecular Weight :

542.586

Hydrogen Bond Acceptor :

Hydrogen Bond Donor :

LogP :

2.975

Rotatable Bonds :

Heavy Atoms :

Chemical Descriptors

InChI: InChI=1S/C29H30N6O5/c1-29(2)22-14-19(8-9-20(22)27(37)39-29)31-28-30-15-21(26-33-24(35-40-26)18-10-12-38-13-11-18)25(34-28)32-23(16-36)17-6-4-3-5-7-17/h3-9,14-15,18,23,36H,10-13,16H2,1-2H3,(H2,30,31,32,34)/t23-/m1/s1

PDB IDs

PDB Ids associated with the Ligand "A1BWM":

PDB Chains selected:

PDB Ids selected:

Experimental Distribution

Organism Distribution (Top 15)

Publication Year Distribution