
 CHEMBL160581

 60 64  0  0  0  0  0  0  0  0999 V2000
    1.5721    1.4510   -0.9680 C   0  0  0  0  0
    0.1657    1.9534   -0.5824 C   0  0  0  0  0
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    1.2188   -0.5843    0.3731 C   0  0  0  0  0
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    3.4598    0.1604   -0.0441 C   0  0  0  0  0
    4.0104   -0.1241   -1.3058 C   0  0  0  0  0
    5.3264   -0.5623   -1.4401 C   0  0  0  0  0
    6.1206   -0.7331   -0.3123 C   0  0  0  0  0
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    6.4318   -0.6514    2.0959 C   0  0  0  0  0
    5.9498   -0.3833    3.3778 C   0  0  0  0  0
    4.6513    0.0824    3.5426 C   0  0  0  0  0
    3.8339    0.2699    2.4257 C   0  0  0  0  0
    4.2811   -0.0103    1.1164 C   0  0  0  0  0
   -1.9946    0.6243   -0.7691 C   0  0  0  0  0
   -2.7415   -0.2531   -0.3210 O   0  0  0  0  0
   -2.4792    1.4969   -1.9488 C   0  0  0  0  0
   -1.6625    1.6515   -3.1019 O   0  0  0  0  0
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   -1.5910   -0.7800   -3.4297 C   0  0  0  0  0
   -0.8413   -1.8776   -3.9010 C   0  0  0  0  0
    0.3124   -1.6331   -4.6430 C   0  0  0  0  0
    0.7538   -0.3416   -4.9479 C   0  0  0  0  0
    0.0156    0.7277   -4.4286 C   0  0  0  0  0
    0.8493   -2.8571   -4.9662 N   0  0  0  0  0
    0.0896   -3.8635   -4.4321 C   0  0  0  0  0
   -0.9766   -3.2954   -3.7633 C   0  0  0  0  0
   -2.0469   -4.0171   -3.0026 C   0  0  0  0  0
   -1.7240   -4.1040   -1.5050 C   0  0  0  0  0
   -2.8025   -4.7502   -0.7547 N   0  0  0  0  0
    1.4956    0.9014   -1.9118 H   0  0  0  0  0
    2.2307    2.3144   -1.1176 H   0  0  0  0  0
   -0.2403    2.5849   -1.3735 H   0  0  0  0  0
    0.2305    2.5745    0.3193 H   0  0  0  0  0
   -0.1549    0.4619    1.7010 H   0  0  0  0  0
   -0.8520   -0.9497    0.8934 H   0  0  0  0  0
    1.6032   -1.1969    1.1970 H   0  0  0  0  0
    1.1550   -1.2210   -0.5198 H   0  0  0  0  0
    3.4126   -0.0357   -2.2096 H   0  0  0  0  0
    5.7281   -0.7762   -2.4272 H   0  0  0  0  0
    7.1447   -1.0795   -0.4404 H   0  0  0  0  0
    7.4522   -1.0061    1.9860 H   0  0  0  0  0
    6.5912   -0.5308    4.2413 H   0  0  0  0  0
    4.2724    0.3029    4.5371 H   0  0  0  0  0
    2.8251    0.6499    2.5815 H   0  0  0  0  0
   -2.6568    2.4995   -1.5413 H   0  0  0  0  0
   -3.4639    1.1302   -2.2675 H   0  0  0  0  0
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    1.6471   -0.1675   -5.5383 H   0  0  0  0  0
    0.3535    1.7448   -4.6182 H   0  0  0  0  0
    1.6959   -2.9897   -5.5016 H   0  0  0  0  0
    0.3741   -4.8991   -4.5654 H   0  0  0  0  0
   -2.1729   -5.0265   -3.4147 H   0  0  0  0  0
   -3.0039   -3.5000   -3.1495 H   0  0  0  0  0
   -1.5527   -3.1038   -1.0895 H   0  0  0  0  0
   -0.8001   -4.6752   -1.3573 H   0  0  0  0  0
   -3.6349   -4.1608   -0.8011 H   0  0  0  0  0
   -2.5452   -4.7766    0.2318 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 10  2  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
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 32 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL160581

>  <PubChem CID>
10048222

>  <Formula>
C26H28N4O2

>  <Molecular Weight>
428.536000

>  <IUPAC Name>
2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone

>  <XlogP>
3.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1C2=CC=CC3=CC=CC=C32)C(=O)COC4=CC5=C(C=C4)NC=C5CCN

>  <Isomeric SMILES>
C1CN(CCN1C2=CC=CC3=CC=CC=C32)C(=O)COC4=CC5=C(C=C4)NC=C5CCN

>  <InChI Std. ID>
InChI=1S/C26H28N4O2/c27-11-10-20-17-28-24-9-8-21(16-23(20)24)32-18-26(31)30-14-12-29(13-15-30)25-7-3-5-19-4-1-2-6-22(19)25/h1-9,16-17,28H,10-15,18,27H2

>  <InChI Key>
FYCXANKHKYEXTR-UHFFFAOYSA-N

