
 CHEMBL3092823

 52 56  0  0  0  0  0  0  0  0999 V2000
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   -0.1482    0.2049    0.4608 C   0  0  0  0  0
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    0.1576   -0.7778   -3.8541 C   0  0  0  0  0
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   -0.5813   -2.8695   -1.6977 C   0  0  0  0  0
    0.3949   -4.4906   -4.6531 C   0  0  0  0  0
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    2.0184   -3.3215   -5.9998 C   0  0  0  0  0
    1.5795   -2.1063   -5.4698 C   0  0  0  0  0
    1.8187   -5.7581   -6.0307 O   0  0  0  0  0
    3.1673   -6.0459   -6.2121 C   0  0  0  0  0
    4.1243   -5.3195   -5.5955 N   0  0  0  0  0
    5.4125   -5.6670   -5.8430 C   0  0  0  0  0
    5.7956   -6.7263   -6.6636 C   0  0  0  0  0
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    3.4453   -7.1381   -7.0204 C   0  0  0  0  0
    7.1289   -7.0307   -6.9086 N   0  0  0  0  0
    7.7365   -8.0809   -7.7085 C   0  0  0  0  0
    9.1026   -7.4701   -7.3349 C   0  0  0  0  0
    8.2871   -6.4281   -6.5467 C   0  0  0  0  0
    8.5398   -5.4520   -5.8832 O   0  0  0  0  0
   -1.6795    0.1344    2.0928 H   0  0  0  0  0
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    0.5962    0.5163    1.2049 H   0  0  0  0  0
   -0.2542    1.0158   -0.2637 H   0  0  0  0  0
    1.1031   -1.6303    0.0984 H   0  0  0  0  0
   -1.6747   -2.4550    0.8315 H   0  0  0  0  0
   -0.4246   -1.9863    1.9814 H   0  0  0  0  0
    1.5178   -1.1864   -2.2091 H   0  0  0  0  0
    0.5818    0.2932   -2.0885 H   0  0  0  0  0
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    2.0656   -1.1881   -5.7908 H   0  0  0  0  0
    6.1441   -5.0401   -5.3397 H   0  0  0  0  0
    5.0006   -8.3255   -7.8912 H   0  0  0  0  0
    2.6393   -7.7053   -7.4723 H   0  0  0  0  0
    7.4823   -8.0291   -8.7706 H   0  0  0  0  0
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    9.7431   -8.0958   -6.7089 H   0  0  0  0  0
    9.6713   -7.0501   -8.1682 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
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  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 32  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5 11  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 15  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3092823

>  <PubChem CID>
10361356

>  <Formula>
C22H25N3O2

>  <Molecular Weight>
363.461000

>  <IUPAC Name>
1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-yl]azetidin-2-one

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC=C(C=C4)N5CCC5=O

>  <Isomeric SMILES>
C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC=C(C=C4)N5CCC5=O

>  <InChI Std. ID>
InChI=1S/C22H25N3O2/c26-22-10-13-25(22)19-5-7-21(23-15-19)27-20-6-4-16-8-11-24(18-2-1-3-18)12-9-17(16)14-20/h4-7,14-15,18H,1-3,8-13H2

>  <InChI Key>
BBYWUDQSMGGJAN-UHFFFAOYSA-N

