
 CHEMBL3972911

 57 61  0  0  0  0  0  0  0  0999 V2000
    3.6229    0.3597    2.4217 C   0  0  0  0  0
    5.1379    0.2133    2.4223 C   0  0  0  0  0
    5.8514    1.5324    2.1330 C   0  0  0  0  0
    5.5119    1.9634    0.8165 O   0  0  0  0  0
    6.0749    3.1209    0.3478 C   0  0  0  0  0
    5.7866    3.5008   -0.9750 C   0  0  0  0  0
    6.4095    4.6259   -1.5405 C   0  0  0  0  0
    7.2796    5.4240   -0.7924 C   0  0  0  0  0
    8.0678    6.6134   -1.3390 C   0  0  0  0  0
    7.6657    7.0413   -2.7872 C   0  0  0  0  0
    8.4388    8.2514   -3.1895 C   0  0  0  0  0
    9.0017    9.0684   -2.2342 C   0  0  0  0  0
    8.9963    8.8344   -0.7650 C   0  0  0  0  0
    8.0223    7.7845   -0.4061 N   0  0  0  0  0
    8.1246    7.4339    1.0221 C   0  0  0  0  0
    8.4365    5.9624    1.3380 C   0  0  0  0  0
    7.5179    5.0708    0.5462 C   0  0  0  0  0
    6.9377    3.9236    1.1032 C   0  0  0  0  0
    9.6268   10.1027   -2.8727 N   0  0  0  0  0
    9.5323    9.9292   -4.2388 C   0  0  0  0  0
    8.7914    8.7657   -4.4646 C   0  0  0  0  0
    8.5679    8.3463   -5.7927 C   0  0  0  0  0
    9.1082    9.0907   -6.8481 C   0  0  0  0  0
    9.8163   10.2645   -6.5883 C   0  0  0  0  0
   10.0469   10.7064   -5.2813 C   0  0  0  0  0
    8.9842    8.7719   -8.1757 O   0  0  0  0  0
    8.7716    7.3928   -8.4581 C   0  0  0  0  0
    4.9721    2.8340   -1.8580 O   0  0  0  0  0
    3.8108    2.2281   -1.3017 C   0  0  0  0  0
    3.1520   -0.5961    2.6723 H   0  0  0  0  0
    3.2521    0.6687    1.4399 H   0  0  0  0  0
    3.3005    1.1011    3.1597 H   0  0  0  0  0
    5.4160   -0.5286    1.6647 H   0  0  0  0  0
    5.4626   -0.1667    3.3973 H   0  0  0  0  0
    6.9328    1.3648    2.2035 H   0  0  0  0  0
    5.5416    2.2819    2.8710 H   0  0  0  0  0
    6.1892    4.8566   -2.5790 H   0  0  0  0  0
    9.1120    6.2642   -1.3935 H   0  0  0  0  0
    6.5944    7.2761   -2.8350 H   0  0  0  0  0
    7.8652    6.2258   -3.4924 H   0  0  0  0  0
   10.0083    8.5395   -0.4586 H   0  0  0  0  0
    8.7381    9.7650   -0.2462 H   0  0  0  0  0
    7.1529    7.6804    1.4706 H   0  0  0  0  0
    8.8554    8.0625    1.5473 H   0  0  0  0  0
    9.4761    5.7246    1.0812 H   0  0  0  0  0
    8.3122    5.7914    2.4134 H   0  0  0  0  0
    7.1817    3.6797    2.1315 H   0  0  0  0  0
   10.1193   10.8626   -2.4254 H   0  0  0  0  0
    7.9836    7.4509   -5.9639 H   0  0  0  0  0
   10.2134   10.8407   -7.4209 H   0  0  0  0  0
   10.6140   11.6113   -5.0930 H   0  0  0  0  0
    8.8975    7.2496   -9.5355 H   0  0  0  0  0
    7.7518    7.0920   -8.1997 H   0  0  0  0  0
    9.5098    6.7619   -7.9505 H   0  0  0  0  0
    3.0614    2.1581   -2.0965 H   0  0  0  0  0
    3.3733    2.8216   -0.4912 H   0  0  0  0  0
    4.0325    1.2076   -0.9765 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8 17  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 21  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 18  2  0  0  0
 18 47  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
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 23 24  1  0  0  0
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 24 50  1  0  0  0
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 28 29  1  0  0  0
 29 55  1  0  0  0
 29 56  1  0  0  0
 29 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3972911

>  <PubChem CID>
134153556

>  <Formula>
C24H28N2O3

>  <Molecular Weight>
392.499000

>  <IUPAC Name>


>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCOC1=C(C=C2C3CC4=C(CN3CCC2=C1)NC5=C4C=C(C=C5)OC)OC

>  <Isomeric SMILES>
CCCOC1=C(C=C2C3CC4=C(CN3CCC2=C1)NC5=C4C=C(C=C5)OC)OC

>  <InChI Std. ID>
InChI=1S/C24H28N2O3/c1-4-9-29-24-10-15-7-8-26-14-21-19(12-22(26)17(15)13-23(24)28-3)18-11-16(27-2)5-6-20(18)25-21/h5-6,10-11,13,22,25H,4,7-9,12,14H2,1-3H3

>  <InChI Key>
ASCOAXCJPGEUCZ-UHFFFAOYSA-N

