
 CHEMBL13930

 69 73  0  0  0  0  0  0  0  0999 V2000
    3.2936    1.9566   -0.8718 C   0  0  0  0  0
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    5.2576    0.3520   -0.1815 H   0  0  0  0  0
    4.4653    0.7754    1.1719 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL13930

>  <PubChem CID>
22862431

>  <Formula>
C28H34N4O3

>  <Molecular Weight>
474.605000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CCC5=CC=CC=C5O4)CC3)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CCC5=CC=CC=C5O4)CC3)N

>  <InChI Std. ID>
InChI=1S/C28H34N4O3/c1-27(2,29)26(34)31-23(17-20-18-30-22-9-5-4-8-21(20)22)25(33)32-15-13-28(14-16-32)12-11-19-7-3-6-10-24(19)35-28/h3-10,18,23,30H,11-17,29H2,1-2H3,(H,31,34)/t23-/m1/s1

>  <InChI Key>
GKDDEWIPWZXMHC-HSZRJFAPSA-N

