
 CHEMBL2431247

 72 77  0  0  0  0  0  0  0  0999 V2000
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    3.1182    1.2004    2.5865 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2431247

>  <PubChem CID>
50939608

>  <Formula>
C31H31F2N5O3

>  <Molecular Weight>
559.618000

>  <IUPAC Name>
2-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1(C(=O)N(C(CN1C)(C)C2=CC(=CC(=C2)F)F)CC(=O)NC3=CC4=C(CC5(C4)C6=C(NC5=O)N=CC=C6)C=C3)C

>  <Isomeric SMILES>
C[C@]1(CN(C(C(=O)N1CC(=O)NC2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)C=C2)(C)C)C)C6=CC(=CC(=C6)F)F

>  <InChI Std. ID>
InChI=1S/C31H31F2N5O3/c1-29(2)28(41)38(30(3,17-37(29)4)20-11-21(32)13-22(33)12-20)16-25(39)35-23-8-7-18-14-31(15-19(18)10-23)24-6-5-9-34-26(24)36-27(31)40/h5-13H,14-17H2,1-4H3,(H,35,39)(H,34,36,40)/t30-,31+/m0/s1

>  <InChI Key>
BPUXOOPSWYLWIN-IOWSJCHKSA-N

