
 CHEMBL433895

 58 63  0  0  0  0  0  0  0  0999 V2000
   -1.5057    1.0682    3.5330 C   0  0  0  0  0
   -1.3683    2.0857    2.4135 C   0  0  0  0  0
    0.0378    2.1718    1.9124 C   0  0  0  0  0
    1.0538    2.6517    2.6154 N   0  0  0  0  0
    2.1382    2.6297    1.7718 C   0  0  0  0  0
    1.7922    2.0719    0.5517 C   0  0  0  0  0
    0.4548    1.7804    0.6551 N   0  0  0  0  0
   -0.3316    1.1863   -0.4173 C   0  0  0  0  0
   -0.4677   -0.3186   -0.3146 C   0  0  0  0  0
    0.5632   -1.1163    0.2025 C   0  0  0  0  0
    0.4050   -2.4931    0.2469 C   0  0  0  0  0
   -0.7222   -3.1158   -0.3163 C   0  0  0  0  0
   -1.7418   -2.3504   -0.8559 C   0  0  0  0  0
   -1.6152   -0.9527   -0.8430 C   0  0  0  0  0
   -0.5366   -4.5499   -0.2568 C   0  0  0  0  0
   -1.3243   -5.5811   -0.7406 C   0  0  0  0  0
   -0.8628   -6.8940   -0.6006 C   0  0  0  0  0
    0.3732   -7.1626    0.0115 C   0  0  0  0  0
    1.1671   -6.1253    0.5046 C   0  0  0  0  0
    0.6998   -4.8265    0.3713 C   0  0  0  0  0
    1.3686   -3.5275    0.8242 C   0  0  0  0  0
    1.4759   -3.4841    2.3595 C   0  0  0  0  0
    2.0270   -2.2111    2.8830 C   0  0  0  0  0
    1.2701   -1.2531    3.4388 N   0  0  0  0  0
    2.1949   -0.2882    3.5952 N   0  0  0  0  0
    3.4498   -0.6360    3.2650 N   0  0  0  0  0
    3.3489   -1.8711    2.7898 N   0  0  0  0  0
    2.5933    1.8305   -0.5022 N   0  0  0  0  0
    3.8813    2.1851   -0.2814 C   0  0  0  0  0
    4.3431    2.7926    0.8920 C   0  0  0  0  0
    3.4665    3.0388    1.9643 C   0  0  0  0  0
    3.9663    3.6917    3.2147 C   0  0  0  0  0
    4.8525    1.9045   -1.3925 C   0  0  0  0  0
   -2.5274    1.0743    3.9257 H   0  0  0  0  0
   -0.8242    1.2907    4.3612 H   0  0  0  0  0
   -1.2872    0.0578    3.1742 H   0  0  0  0  0
   -1.6584    3.0740    2.7906 H   0  0  0  0  0
   -2.0752    1.8399    1.6167 H   0  0  0  0  0
    0.1421    1.4411   -1.3724 H   0  0  0  0  0
   -1.3129    1.6720   -0.4080 H   0  0  0  0  0
    1.4891   -0.6784    0.5633 H   0  0  0  0  0
   -2.6179   -2.8147   -1.2966 H   0  0  0  0  0
   -2.4148   -0.3561   -1.2789 H   0  0  0  0  0
   -2.2718   -5.3846   -1.2303 H   0  0  0  0  0
   -1.4626   -7.7180   -0.9803 H   0  0  0  0  0
    0.7158   -8.1916    0.0967 H   0  0  0  0  0
    2.1242   -6.3375    0.9696 H   0  0  0  0  0
    2.3443   -3.4268    0.3333 H   0  0  0  0  0
    2.1221   -4.3025    2.7025 H   0  0  0  0  0
    0.4928   -3.6666    2.8155 H   0  0  0  0  0
    1.9556    0.6535    3.9030 H   0  0  0  0  0
    5.3922    3.0640    0.9808 H   0  0  0  0  0
    4.7694    3.0958    3.6592 H   0  0  0  0  0
    3.1685    3.7947    3.9568 H   0  0  0  0  0
    4.3474    4.6926    2.9876 H   0  0  0  0  0
    5.7260    1.3684   -1.0084 H   0  0  0  0  0
    5.1777    2.8415   -1.8534 H   0  0  0  0  0
    4.3900    1.2810   -2.1642 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  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5 31  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
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 11 12  2  0  0  0
 11 21  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
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 14 43  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
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 17 18  2  0  0  0
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 31 32  1  0  0  0
 32 53  1  0  0  0
 32 54  1  0  0  0
 32 55  1  0  0  0
 33 56  1  0  0  0
 33 57  1  0  0  0
 33 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL433895

>  <PubChem CID>
44373246

>  <Formula>
C26H25N7

>  <Molecular Weight>
435.535000

>  <IUPAC Name>
2-ethyl-5,7-dimethyl-3-[[9-(2H-tetrazol-5-ylmethyl)-9H-fluoren-2-yl]methyl]imidazo[4,5-b]pyridine

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)C5=CC=CC=C5C4CC6=NNN=N6)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)C5=CC=CC=C5C4CC6=NNN=N6)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C26H25N7/c1-4-24-28-25-15(2)11-16(3)27-26(25)33(24)14-17-9-10-20-18-7-5-6-8-19(18)22(21(20)12-17)13-23-29-31-32-30-23/h5-12,22H,4,13-14H2,1-3H3,(H,29,30,31,32)

>  <InChI Key>
DYYWUYUUDYPWON-UHFFFAOYSA-N

