
 CHEMBL115656

 75 78  0  0  0  0  0  0  0  0999 V2000
    9.5025   -2.9770   -0.9905 C   0  0  0  0  0
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    7.0543    1.0908   -2.9687 H   0  0  0  0  0
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    4.8171    3.2712   -0.9443 H   0  0  0  0  0
    5.1144    1.5557   -0.9574 H   0  0  0  0  0
    3.4886    2.0160   -2.6242 H   0  0  0  0  0
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    3.0534    5.6514   -5.0001 H   0  0  0  0  0
    2.6484    4.7027   -6.4403 H   0  0  0  0  0
    4.3432    5.0625   -6.0688 H   0  0  0  0  0
    9.1679    3.0707   -0.5353 H   0  0  0  0  0
    9.0246    5.4482   -2.5090 H   0  0  0  0  0
    9.3346    3.8015   -2.9877 H   0  0  0  0  0
   11.9209    2.7587   -2.4733 H   0  0  0  0  0
   14.0700    3.9542   -2.0184 H   0  0  0  0  0
   14.9887    6.4974   -1.2640 H   0  0  0  0  0
   14.1467    8.7564   -0.6510 H   0  0  0  0  0
   11.7245    9.2339   -0.6486 H   0  0  0  0  0
   10.0955    7.4847   -1.2874 H   0  0  0  0  0
    8.5105    5.9290   -0.0699 H   0  0  0  0  0
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    7.8060   10.0726    6.6896 H   0  0  0  0  0
    9.1217   10.0680    4.5952 H   0  0  0  0  0
   10.0739    7.0815    1.3130 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL115656

>  <PubChem CID>
15104594

>  <Formula>
C31H38N4O2

>  <Molecular Weight>
498.671000

>  <IUPAC Name>
N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide

>  <XlogP>
6.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=CC=CC=C4N=C3

>  <Isomeric SMILES>
CCCCCN(CCCCC)C(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=CC=CC=C4N=C3

>  <InChI Std. ID>
InChI=1S/C31H38N4O2/c1-3-5-11-17-35(18-12-6-4-2)31(37)29(20-24-21-33-28-16-10-8-14-26(24)28)34-30(36)25-19-23-13-7-9-15-27(23)32-22-25/h7-10,13-16,19,21-22,29,33H,3-6,11-12,17-18,20H2,1-2H3,(H,34,36)/t29-/m1/s1

>  <InChI Key>
BHLFQSQXXBNXJD-GDLZYMKVSA-N

