
 CHEMBL2207639

 65 69  0  0  0  0  0  0  0  0999 V2000
    4.7725   -2.6566    1.8792 C   0  0  0  0  0
    5.9406   -3.4582    1.7720 O   0  0  0  0  0
    7.1684   -2.8742    1.9735 C   0  0  0  0  0
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    7.2243   -6.8464   -0.1464 C   0  0  0  0  0
    7.0886   -5.5362    0.6645 C   0  0  0  0  0
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   11.4298   -1.5406   -4.0757 C   0  0  0  0  0
   11.8691   -2.9382   -4.5412 C   0  0  0  0  0
    4.8220   -1.7877    1.2146 H   0  0  0  0  0
    4.5946   -2.3578    2.9170 H   0  0  0  0  0
    3.9209   -3.2664    1.5619 H   0  0  0  0  0
    6.3935   -1.0106    2.8095 H   0  0  0  0  0
    8.5667    0.0014    3.2048 H   0  0  0  0  0
   10.6375   -1.2687    2.7064 H   0  0  0  0  0
   10.5154   -3.5037    1.7943 H   0  0  0  0  0
   10.4326   -4.9378    0.3843 H   0  0  0  0  0
    9.3382   -4.1699   -0.7769 H   0  0  0  0  0
   10.1510   -6.2992   -1.6478 H   0  0  0  0  0
    9.7919   -7.1260   -0.1628 H   0  0  0  0  0
    6.2272   -7.1893   -0.4506 H   0  0  0  0  0
    7.6133   -7.6352    0.5116 H   0  0  0  0  0
    6.4590   -4.8660    0.0698 H   0  0  0  0  0
    6.5676   -5.7873    1.5962 H   0  0  0  0  0
    7.3835   -4.8074   -1.8730 H   0  0  0  0  0
    6.5442   -6.1474   -2.6107 H   0  0  0  0  0
    8.8553   -3.5162   -3.5075 H   0  0  0  0  0
    7.6829   -8.2251   -3.6278 H   0  0  0  0  0
    7.9458   -9.9014   -5.1857 H   0  0  0  0  0
    8.8254   -9.7927   -7.3373 H   0  0  0  0  0
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   12.0216    0.0151   -6.9140 H   0  0  0  0  0
   10.4531   -0.5834   -6.3717 H   0  0  0  0  0
   11.8218   -1.3469   -3.0722 H   0  0  0  0  0
   10.3392   -1.4494   -4.0232 H   0  0  0  0  0
   12.9665   -2.9782   -4.5056 H   0  0  0  0  0
   11.5310   -3.7030   -3.8360 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  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 36  1  0  0  0
  5  6  2  0  0  0
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 32 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2207639

>  <PubChem CID>
71454294

>  <Formula>
C27H33N3O2

>  <Molecular Weight>
431.580000

>  <IUPAC Name>
4-[[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]azulen-1-yl]methyl]morpholine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C4C3=CC=CC=C4)CN5CCOCC5

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C4C3=CC=CC=C4)CN5CCOCC5

>  <InChI Std. ID>
InChI=1S/C27H33N3O2/c1-31-27-10-6-5-9-26(27)30-13-11-28(12-14-30)20-22-19-23(21-29-15-17-32-18-16-29)25-8-4-2-3-7-24(22)25/h2-10,19H,11-18,20-21H2,1H3

>  <InChI Key>
RMDQSWIVOHIFNT-UHFFFAOYSA-N

