
 SCHEMBL1988127

 72 77  0  0  0  0  0  0  0  0999 V2000
    3.3655    8.9163    5.0663 C   0  0  0  0  0
    2.7664    8.5239    3.9337 C   0  0  0  0  0
    2.7893    7.1108    3.3926 C   0  0  0  0  0
    3.4637    7.0457    2.0514 N   0  0  0  0  0
    4.7718    7.3090    1.9070 C   0  0  0  0  0
    3.5430    8.1726    0.8523 C   0  0  0  0  0
    1.8850    7.2084    0.7015 C   0  0  0  0  0
    2.2642    5.4884    1.1471 C   0  0  0  0  0
    3.5157    5.9067    0.6404 C   0  0  0  0  0
    4.7251    4.9815    0.3191 C   0  0  0  0  0
    5.5339    4.7969    1.5561 C   0  0  0  0  0
    4.6764    5.5684    2.5092 C   0  0  0  0  0
    3.0538    4.8629    2.4129 N   0  0  0  0  0
    2.9565    3.4085    2.6141 C   0  0  0  0  0
    3.5223    2.9964    3.9853 C   0  0  0  0  0
    4.7114    2.2508    4.0901 C   0  0  0  0  0
    5.2427    1.8911    5.3420 C   0  0  0  0  0
    4.6113    2.2972    6.5196 C   0  0  0  0  0
    3.4036    2.9995    6.4237 C   0  0  0  0  0
    2.8738    3.3525    5.1787 C   0  0  0  0  0
    5.0700    1.9299    7.8898 C   0  0  0  0  0
    4.1837    1.6020    8.6817 O   0  0  0  0  0
    6.4131    1.9892    8.2775 N   0  0  0  0  0
    7.5554    2.4166    7.4694 C   0  0  0  0  0
    8.4256    3.4460    8.1924 C   0  0  0  0  0
    8.7800    3.0192    9.6135 C   0  0  0  0  0
    7.5223    2.6354   10.3847 C   0  0  0  0  0
    6.7470    1.5546    9.6377 C   0  0  0  0  0
    1.5133    2.8947    2.4370 C   0  0  0  0  0
    0.3977    3.6589    2.8385 C   0  0  0  0  0
   -0.8958    3.1985    2.6149 C   0  0  0  0  0
   -1.1146    1.9662    2.0174 C   0  0  0  0  0
   -0.0255    1.1819    1.6399 C   0  0  0  0  0
    1.2796    1.6401    1.8489 C   0  0  0  0  0
   -1.9820    3.9459    2.9626 O   0  0  0  0  0
    3.3000    9.9469    5.3993 H   0  0  0  0  0
    3.9355    8.2236    5.6775 H   0  0  0  0  0
    2.2006    9.2505    3.3568 H   0  0  0  0  0
    1.7342    6.8161    3.3266 H   0  0  0  0  0
    3.2368    6.4793    4.1701 H   0  0  0  0  0
    5.1698    7.9825    2.6705 H   0  0  0  0  0
    3.9656    8.3001   -0.1588 H   0  0  0  0  0
    3.2998    9.1802    1.2379 H   0  0  0  0  0
    1.5625    7.2842   -0.3457 H   0  0  0  0  0
    1.1321    7.6395    1.3721 H   0  0  0  0  0
    1.7368    4.7734    0.5114 H   0  0  0  0  0
    3.4236    6.3836   -0.3541 H   0  0  0  0  0
    4.3849    4.0291   -0.1028 H   0  0  0  0  0
    5.3572    5.4548   -0.4441 H   0  0  0  0  0
    5.6648    3.7455    1.8107 H   0  0  0  0  0
    6.5295    5.2428    1.4620 H   0  0  0  0  0
    5.0086    5.5059    3.5532 H   0  0  0  0  0
    3.5452    2.9130    1.8336 H   0  0  0  0  0
    5.2361    1.9319    3.1925 H   0  0  0  0  0
    6.1373    1.2766    5.3766 H   0  0  0  0  0
    2.8549    3.2649    7.3262 H   0  0  0  0  0
    1.9375    3.9031    5.1556 H   0  0  0  0  0
    7.2402    2.8557    6.5239 H   0  0  0  0  0
    8.1432    1.5174    7.2483 H   0  0  0  0  0
    9.3431    3.6210    7.6191 H   0  0  0  0  0
    7.8860    4.3999    8.2340 H   0  0  0  0  0
    9.4689    2.1663    9.5845 H   0  0  0  0  0
    9.2997    3.8354   10.1279 H   0  0  0  0  0
    7.7913    2.2816   11.3858 H   0  0  0  0  0
    6.8883    3.5221   10.5120 H   0  0  0  0  0
    7.3502    0.6431    9.5517 H   0  0  0  0  0
    5.8531    1.2942   10.2129 H   0  0  0  0  0
    0.5558    4.6282    3.3030 H   0  0  0  0  0
   -2.1294    1.6178    1.8486 H   0  0  0  0  0
   -0.1947    0.2129    1.1778 H   0  0  0  0  0
    2.1133    1.0128    1.5420 H   0  0  0  0  0
   -1.6683    4.7775    3.3552 H   0  0  0  0  0
  1  2  2  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
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  5 41  1  0  0  0
  6  7  1  0  0  0
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 31 32  2  0  0  0
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 32 33  1  0  0  0
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 35 72  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1988127

>  <PubChem CID>
58313357

>  <Formula>
C30H37N3O2

>  <Molecular Weight>
471.645000

>  <IUPAC Name>


>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C=CCN1C2CCC3C1CCC2N3C(C4=CC=C(C=C4)C(=O)N5CCCCC5)C6=CC(=CC=C6)O

>  <Isomeric SMILES>
C=CCN1C2CCC3C1CCC2N3C(C4=CC=C(C=C4)C(=O)N5CCCCC5)C6=CC(=CC=C6)O

>  <InChI Std. ID>
InChI=1S/C30H37N3O2/c1-2-17-32-25-13-15-27-26(32)14-16-28(25)33(27)29(23-7-6-8-24(34)20-23)21-9-11-22(12-10-21)30(35)31-18-4-3-5-19-31/h2,6-12,20,25-29,34H,1,3-5,13-19H2

>  <InChI Key>
BXZXTSAWQCBSOL-UHFFFAOYSA-N

