
 CHEMBL432459

 58 61  0  0  0  0  0  0  0  0999 V2000
    2.1136   -1.8047   -0.0740 C   0  0  0  0  0
    3.4675   -1.1467    0.1677 C   0  0  0  0  0
    3.4673    0.3582    0.0245 C   0  0  0  0  0
    2.3059    0.9671   -0.3098 N   0  0  0  0  0
    2.2773    2.3226   -0.3970 C   0  0  0  0  0
    3.4079    3.0940   -0.1404 C   0  0  0  0  0
    4.6220    2.4619    0.1448 C   0  0  0  0  0
    4.6442    1.0717    0.2489 C   0  0  0  0  0
    5.7141    3.2657    0.3361 O   0  0  0  0  0
    6.9949    2.6995    0.0598 C   0  0  0  0  0
    7.9356    3.8192   -0.3153 C   0  0  0  0  0
    8.5469    4.6048    0.6691 C   0  0  0  0  0
    9.4010    5.6549    0.3118 C   0  0  0  0  0
    9.6591    5.9526   -1.0357 C   0  0  0  0  0
    9.0368    5.1659   -2.0164 C   0  0  0  0  0
    8.1791    4.1191   -1.6620 C   0  0  0  0  0
   10.5813    7.0427   -1.4087 C   0  0  0  0  0
   11.9505    6.8836   -1.1018 C   0  0  0  0  0
   12.8993    7.8425   -1.4619 C   0  0  0  0  0
   12.5028    8.9840   -2.1453 C   0  0  0  0  0
   11.1565    9.1679   -2.4593 C   0  0  0  0  0
   10.1820    8.2162   -2.0916 C   0  0  0  0  0
    8.7898    8.5056   -2.4205 C   0  0  0  0  0
    8.3980    9.1645   -3.5291 N   0  0  0  0  0
    7.0718    9.1876   -3.3320 N   0  0  0  0  0
    6.6353    8.6388   -2.1962 N   0  0  0  0  0
    7.7317    8.1966   -1.5977 N   0  0  0  0  0
    3.3173    4.5569   -0.1656 C   0  0  0  0  0
    3.1730    5.2206   -1.1754 O   0  0  0  0  0
    3.2842    4.9849    1.1210 O   0  0  0  0  0
    3.0822    6.3906    1.2539 C   0  0  0  0  0
    0.9358    2.9171   -0.7433 C   0  0  0  0  0
    0.1160    3.2333    0.4975 C   0  0  0  0  0
    2.1903   -2.8888    0.0562 H   0  0  0  0  0
    1.7538   -1.6114   -1.0904 H   0  0  0  0  0
    1.3599   -1.4334    0.6291 H   0  0  0  0  0
    4.1948   -1.5658   -0.5373 H   0  0  0  0  0
    3.8013   -1.3987    1.1814 H   0  0  0  0  0
    5.5456    0.5346    0.5215 H   0  0  0  0  0
    6.9562    1.9770   -0.7657 H   0  0  0  0  0
    7.3672    2.1830    0.9528 H   0  0  0  0  0
    8.3523    4.4144    1.7221 H   0  0  0  0  0
    9.8560    6.2550    1.0974 H   0  0  0  0  0
    9.2103    5.3696   -3.0712 H   0  0  0  0  0
    7.6952    3.5459   -2.4498 H   0  0  0  0  0
   12.2870    5.9857   -0.5848 H   0  0  0  0  0
   13.9468    7.6905   -1.2146 H   0  0  0  0  0
   13.2360    9.7328   -2.4335 H   0  0  0  0  0
   10.8613   10.0724   -2.9897 H   0  0  0  0  0
    6.4319    9.6070   -4.0003 H   0  0  0  0  0
    2.1479    6.6932    0.7697 H   0  0  0  0  0
    3.9321    6.9387    0.8376 H   0  0  0  0  0
    3.0043    6.6207    2.3203 H   0  0  0  0  0
    0.3825    2.1978   -1.3602 H   0  0  0  0  0
    1.0480    3.8106   -1.3654 H   0  0  0  0  0
   -0.0587    2.3323    1.0953 H   0  0  0  0  0
   -0.8573    3.6443    0.2115 H   0  0  0  0  0
    0.6177    3.9669    1.1363 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
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 19 20  2  0  0  0
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 24 25  1  0  0  0
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 28 30  1  0  0  0
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 32 33  1  0  0  0
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 33 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL432459

>  <PubChem CID>
15171368

>  <Formula>
C25H25N5O3

>  <Molecular Weight>
443.507000

>  <IUPAC Name>
methyl 2,6-diethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC1=NC(=C(C(=C1)OCC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OC)CC

>  <Isomeric SMILES>
CCC1=NC(=C(C(=C1)OCC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OC)CC

>  <InChI Std. ID>
InChI=1S/C25H25N5O3/c1-4-18-14-22(23(25(31)32-3)21(5-2)26-18)33-15-16-10-12-17(13-11-16)19-8-6-7-9-20(19)24-27-29-30-28-24/h6-14H,4-5,15H2,1-3H3,(H,27,28,29,30)

>  <InChI Key>
MWRVYNFBHCKLNO-UHFFFAOYSA-N

