
 CHEMBL13687

 68 72  0  0  0  0  0  0  0  0999 V2000
    3.8226    0.3698    0.6463 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL13687

>  <PubChem CID>
10458218

>  <Formula>
C28H32N4O4

>  <Molecular Weight>
488.588000

>  <IUPAC Name>
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC4(C3)CC(=O)C5=CC=CC=C5O4)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCCC4(C3)CC(=O)C5=CC=CC=C5O4)N

>  <InChI Std. ID>
InChI=1S/C28H32N4O4/c1-27(2,29)26(35)31-22(14-18-16-30-21-10-5-3-8-19(18)21)25(34)32-13-7-12-28(17-32)15-23(33)20-9-4-6-11-24(20)36-28/h3-6,8-11,16,22,30H,7,12-15,17,29H2,1-2H3,(H,31,35)/t22-,28?/m1/s1

>  <InChI Key>
KXMBIAQXUZZYJL-WZOMIXFGSA-N

