
 CHEMBL96641

 52 56  0  0  0  0  0  0  0  0999 V2000
   10.6088    6.0729    2.9615 C   0  0  0  0  0
   10.4893    5.8935    1.5565 O   0  0  0  0  0
    9.2216    5.7623    1.0500 C   0  0  0  0  0
    8.0991    5.2034    1.6866 C   0  0  0  0  0
    6.8774    5.1632    0.9942 C   0  0  0  0  0
    6.7592    5.6777   -0.3073 C   0  0  0  0  0
    7.8958    6.1887   -0.9406 C   0  0  0  0  0
    9.1139    6.2241   -0.2669 C   0  0  0  0  0
    5.4173    5.7301   -1.0079 C   0  0  0  0  0
    4.3339    6.6036   -0.3156 C   0  0  0  0  0
    4.7313    8.0463   -0.1618 C   0  0  0  0  0
    3.9780    9.1520   -0.5019 C   0  0  0  0  0
    2.6194    8.9909   -1.0858 C   0  0  0  0  0
    2.1054    7.5624   -0.7791 C   0  0  0  0  0
    3.0886    6.5121   -1.1319 N   0  0  0  0  0
    4.7281   10.3139   -0.1741 C   0  0  0  0  0
    5.9024    9.8790    0.4466 C   0  0  0  0  0
    5.8585    8.5015    0.4663 N   0  0  0  0  0
    6.8823   10.7761    0.9423 C   0  0  0  0  0
    8.0495   10.3181    1.5872 C   0  0  0  0  0
    8.9850   11.2354    2.0641 C   0  0  0  0  0
    8.7686   12.6023    1.8975 C   0  0  0  0  0
    7.6137   13.0615    1.2567 C   0  0  0  0  0
    6.6509   12.1610    0.7731 C   0  0  0  0  0
    5.4805   12.6016    0.1402 C   0  0  0  0  0
    4.5156   11.6965   -0.3257 C   0  0  0  0  0
    8.2629    4.7103    2.9533 O   0  0  0  0  0
    7.1218    4.1955    3.6268 C   0  0  0  0  0
   10.6122    5.1065    3.4737 H   0  0  0  0  0
    9.8389    6.7414    3.3621 H   0  0  0  0  0
   11.5787    6.5435    3.1518 H   0  0  0  0  0
    5.9889    4.7396    1.4528 H   0  0  0  0  0
    7.8396    6.5863   -1.9522 H   0  0  0  0  0
    9.9895    6.6351   -0.7651 H   0  0  0  0  0
    5.0523    4.6978   -1.0999 H   0  0  0  0  0
    5.5681    6.0867   -2.0369 H   0  0  0  0  0
    4.1150    6.1972    0.6800 H   0  0  0  0  0
    1.9258    9.7293   -0.6698 H   0  0  0  0  0
    2.6698    9.1444   -2.1704 H   0  0  0  0  0
    1.8416    7.4693    0.2824 H   0  0  0  0  0
    1.1854    7.3855   -1.3471 H   0  0  0  0  0
    3.3495    6.6602   -2.1073 H   0  0  0  0  0
    6.5774    7.9239    0.8776 H   0  0  0  0  0
    8.2402    9.2579    1.7255 H   0  0  0  0  0
    9.8830   10.8836    2.5646 H   0  0  0  0  0
    9.5007   13.3151    2.2683 H   0  0  0  0  0
    7.4689   14.1333    1.1407 H   0  0  0  0  0
    5.3003   13.6660    0.0060 H   0  0  0  0  0
    3.6139   12.0645   -0.8053 H   0  0  0  0  0
    7.4364    3.8902    4.6294 H   0  0  0  0  0
    6.7300    3.3099    3.1165 H   0  0  0  0  0
    6.3501    4.9639    3.7418 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 18  1  0  0  0
 11 12  2  0  0  0
 12 16  1  0  0  0
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 14 40  1  0  0  0
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 20 21  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL96641

>  <PubChem CID>
10785520

>  <Formula>
C24H24N2O2

>  <Molecular Weight>
372.468000

>  <IUPAC Name>


>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=C(C=C(C=C1)CC2C3=C(CCN2)C4=C(N3)C5=CC=CC=C5C=C4)OC

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)CC2C3=C(CCN2)C4=C(N3)C5=CC=CC=C5C=C4)OC

>  <InChI Std. ID>
InChI=1S/C24H24N2O2/c1-27-21-10-7-15(14-22(21)28-2)13-20-24-19(11-12-25-20)18-9-8-16-5-3-4-6-17(16)23(18)26-24/h3-10,14,20,25-26H,11-13H2,1-2H3

>  <InChI Key>
BNAGTTVFXKJRPK-UHFFFAOYSA-N

