
 CHEMBL2204940

 58 64  0  0  0  0  0  0  0  0999 V2000
    1.8868   -1.0417   -0.0057 C   0  0  0  0  0
    3.0133   -0.0925    0.0124 C   0  0  0  0  0
    4.3030   -0.3253   -0.0614 N   0  0  0  0  0
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    3.9179    1.9216    0.1603 N   0  0  0  0  0
    2.7069    1.2301    0.1331 O   0  0  0  0  0
    6.3508    1.2097    0.0736 C   0  0  0  0  0
    6.7711    1.9712    1.3191 C   0  0  0  0  0
    7.4373    1.4730    2.4215 C   0  0  0  0  0
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    7.5864   -3.2077    1.9483 N   0  0  0  0  0
    8.4478   -4.1497    1.4429 C   0  0  0  0  0
    9.2199   -3.6399    0.4145 C   0  0  0  0  0
    8.8087   -2.3317    0.3271 N   0  0  0  0  0
   10.2517   -4.2374   -0.4278 C   0  0  0  0  0
   10.4686   -3.7842   -1.7398 C   0  0  0  0  0
   11.4569   -4.3646   -2.5396 C   0  0  0  0  0
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   12.0333   -5.8672   -0.7388 C   0  0  0  0  0
   11.0438   -5.2884    0.0605 C   0  0  0  0  0
   13.1775   -5.9547   -2.7981 F   0  0  0  0  0
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    8.1742    3.8807    5.2835 C   0  0  0  0  0
    7.5852    4.9948    4.6896 C   0  0  0  0  0
    6.9929    4.9093    3.4263 C   0  0  0  0  0
    7.0139    3.6664    2.7831 C   0  0  0  0  0
    6.5174    3.2996    1.5523 N   0  0  0  0  0
    6.7254    1.9616   -1.2146 C   0  0  0  0  0
    7.0006    1.3378   -2.3781 N   0  0  0  0  0
    7.2830    2.3835   -3.2552 O   0  0  0  0  0
    7.1322    3.5388   -2.5495 C   0  0  0  0  0
    6.7780    3.3468   -1.3009 N   0  0  0  0  0
    7.3895    4.7961   -3.2719 C   0  0  0  0  0
    0.9327   -0.5350    0.1691 H   0  0  0  0  0
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    1.8340   -1.5499   -0.9728 H   0  0  0  0  0
    8.9618    0.0162    2.3270 H   0  0  0  0  0
    7.6706   -0.3703    3.4708 H   0  0  0  0  0
    6.1122   -0.9663    1.7312 H   0  0  0  0  0
    6.5531   -0.7048   -0.5639 H   0  0  0  0  0
    8.4571   -5.1572    1.8386 H   0  0  0  0  0
    9.1474   -1.6249   -0.3115 H   0  0  0  0  0
    9.8602   -2.9898   -2.1650 H   0  0  0  0  0
   11.6219   -4.0194   -3.5553 H   0  0  0  0  0
   12.6487   -6.6768   -0.3597 H   0  0  0  0  0
   10.9065   -5.6601    1.0736 H   0  0  0  0  0
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    7.5855    5.9466    5.2157 H   0  0  0  0  0
    6.5348    5.7783    2.9658 H   0  0  0  0  0
    6.0595    3.9247    0.8993 H   0  0  0  0  0
    7.0035    5.6499   -2.7072 H   0  0  0  0  0
    6.9042    4.7881   -4.2521 H   0  0  0  0  0
    8.4642    4.9385   -3.4164 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
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 31 55  1  0  0  0
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 37 56  1  0  0  0
 37 57  1  0  0  0
 37 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2204940

>  <PubChem CID>
71461260

>  <Formula>
C26H21FN8O2

>  <Molecular Weight>
496.506000

>  <IUPAC Name>
3-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=NC(=NO1)C2(C3=C(CC(N2)C4=NC=C(N4)C5=CC=C(C=C5)F)C6=CC=CC=C6N3)C7=NOC(=N7)C

>  <Isomeric SMILES>
CC1=NC(=NO1)C2(C3=C(C[C@@H](N2)C4=NC=C(N4)C5=CC=C(C=C5)F)C6=CC=CC=C6N3)C7=NOC(=N7)C

>  <InChI Std. ID>
InChI=1S/C26H21FN8O2/c1-13-29-24(34-36-13)26(25-30-14(2)37-35-25)22-18(17-5-3-4-6-19(17)31-22)11-20(33-26)23-28-12-21(32-23)15-7-9-16(27)10-8-15/h3-10,12,20,31,33H,11H2,1-2H3,(H,28,32)/t20-/m1/s1

>  <InChI Key>
HDVFNFJNBVGCNA-HXUWFJFHSA-N

