
 CHEMBL275795

 70 74  0  0  0  0  0  0  0  0999 V2000
    3.8328   -3.0223    2.0601 C   0  0  0  0  0
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    1.0419   -5.9119   -2.6159 H   0  0  0  0  0
    2.4942   -6.5609   -3.3784 H   0  0  0  0  0
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    3.1514    0.1558    1.3679 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL275795

>  <PubChem CID>
22862453

>  <Formula>
C28H34N4O4

>  <Molecular Weight>
490.604000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CC3)CC(C5=CC=CC=C5O4)O)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CC3)CC(C5=CC=CC=C5O4)O)N

>  <InChI Std. ID>
InChI=1S/C28H34N4O4/c1-27(2,29)26(35)31-22(15-18-17-30-21-9-5-3-7-19(18)21)25(34)32-13-11-28(12-14-32)16-23(33)20-8-4-6-10-24(20)36-28/h3-10,17,22-23,30,33H,11-16,29H2,1-2H3,(H,31,35)/t22-,23?/m1/s1

>  <InChI Key>
PUVBQTVEVHFOGU-WTQRLHSKSA-N

