
 CHEMBL274340

 69 73  0  0  0  0  0  0  0  0999 V2000
    3.7526    1.2049    0.0527 C   0  0  0  0  0
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    2.0761   -6.2564   -1.6952 H   0  0  0  0  0
    1.8680   -6.0457   -3.4332 H   0  0  0  0  0
    0.1659   -7.7664   -3.9889 H   0  0  0  0  0
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    4.1079   -1.0868    1.1570 H   0  0  0  0  0
    2.5540   -1.6539    1.2888 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL274340

>  <PubChem CID>
44269019

>  <Formula>
C28H34N4O3

>  <Molecular Weight>
474.605000

>  <IUPAC Name>
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-spiro[3,4-dihydrochromene-2,3'-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)N3CCCC4(C3)CCC5=CC=CC=C5O4)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCCC4(C3)CCC5=CC=CC=C5O4)N

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

>  <InChI Key>
UMYPPGBOOAJIKE-YFIOFSHDSA-N

