
 CHEMBL1078639

 50 53  0  0  0  0  0  0  0  0999 V2000
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   -2.3304   -5.0733    4.5991 C   0  0  0  0  0
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   -4.6803   -4.6801    4.0395 C   0  0  0  0  0
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   -1.1562   -2.9513    1.9238 C   0  0  0  0  0
   -1.5082   -1.8368    1.1621 C   0  0  0  0  0
   -2.8452   -1.6054    0.8287 C   0  0  0  0  0
   -3.8301   -2.4901    1.2888 C   0  0  0  0  0
   -3.1681   -0.3884    0.0257 C   0  0  0  0  0
   -2.4129    0.5728    0.0961 O   0  0  0  0  0
   -4.3107   -0.4645   -0.7518 N   0  0  0  0  0
   -4.8663    0.5781   -1.5224 C   0  0  0  0  0
   -4.3211    1.8450   -1.6741 C   0  0  0  0  0
   -4.9020    2.8476   -2.3848 N   0  0  0  0  0
   -6.0929    2.6229   -2.9728 C   0  0  0  0  0
   -6.6834    1.3613   -2.9028 C   0  0  0  0  0
   -6.0706    0.3375   -2.1758 C   0  0  0  0  0
   -6.7349    3.6597   -3.6688 N   0  0  0  0  0
   -8.0717    4.0090   -3.1359 C   0  0  0  0  0
   -7.9522    4.8930   -1.8822 C   0  0  0  0  0
   -7.2152    6.0933   -2.1655 O   0  0  0  0  0
   -5.8827    5.7637   -2.6026 C   0  0  0  0  0
   -5.9036    4.8735   -3.8599 C   0  0  0  0  0
   -1.9507   -5.9690    2.6436 H   0  0  0  0  0
   -0.6232   -5.0451    3.3076 H   0  0  0  0  0
   -1.7236   -5.7544    5.2084 H   0  0  0  0  0
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   -3.9576   -5.7133    5.6319 H   0  0  0  0  0
   -4.6455   -3.6927    4.5164 H   0  0  0  0  0
   -5.6699   -5.0968    4.2632 H   0  0  0  0  0
   -4.4111   -5.5512    2.0557 H   0  0  0  0  0
   -5.5388   -4.2190    2.1327 H   0  0  0  0  0
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   -3.3753    2.1313   -1.2281 H   0  0  0  0  0
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   -8.6861    3.1274   -2.9245 H   0  0  0  0  0
   -8.5966    4.5748   -3.9161 H   0  0  0  0  0
   -8.9498    5.1924   -1.5468 H   0  0  0  0  0
   -7.4694    4.3599   -1.0548 H   0  0  0  0  0
   -5.3727    6.7052   -2.8308 H   0  0  0  0  0
   -5.3464    5.2983   -1.7689 H   0  0  0  0  0
   -6.3604    5.4467   -4.6770 H   0  0  0  0  0
   -4.8876    4.6270   -4.1909 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
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  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1078639

>  <PubChem CID>
46882627

>  <Formula>
C20H24N4O2

>  <Molecular Weight>
352.438000

>  <IUPAC Name>
N-(6-morpholin-4-ylpyridin-3-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CNCCC2=C1C=CC(=C2)C(=O)NC3=CN=C(C=C3)N4CCOCC4

>  <Isomeric SMILES>
C1CNCCC2=C1C=CC(=C2)C(=O)NC3=CN=C(C=C3)N4CCOCC4

>  <InChI Std. ID>
InChI=1S/C20H24N4O2/c25-20(17-2-1-15-5-7-21-8-6-16(15)13-17)23-18-3-4-19(22-14-18)24-9-11-26-12-10-24/h1-4,13-14,21H,5-12H2,(H,23,25)

>  <InChI Key>
DRNIAPGHNSFOCQ-UHFFFAOYSA-N

