
 CHEMBL2204936

 60 66  0  0  0  0  0  0  0  0999 V2000
    1.8388   -1.6298    0.8840 C   0  0  0  0  0
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   11.3781   -5.2590   -2.7794 C   0  0  0  0  0
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    6.0405    3.2223    1.8911 N   0  0  0  0  0
    5.9766    2.0379   -0.9786 C   0  0  0  0  0
    6.8931    3.0148   -1.3437 C   0  0  0  0  0
    6.5289    3.4574   -2.5790 N   0  0  0  0  0
    5.4523    2.8256   -3.0739 N   0  0  0  0  0
    5.1232    1.9618   -2.1109 C   0  0  0  0  0
    7.1634    4.4963   -3.3530 C   0  0  0  0  0
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    2.2630   -2.5699    0.5193 H   0  0  0  0  0
    9.1115    0.4036    1.7711 H   0  0  0  0  0
    8.2355   -0.2417    3.1648 H   0  0  0  0  0
    6.3799   -1.0133    1.8145 H   0  0  0  0  0
    6.1912   -0.6286   -0.4760 H   0  0  0  0  0
    9.2975   -4.7707    1.1259 H   0  0  0  0  0
    8.8807   -1.1403   -0.9290 H   0  0  0  0  0
   11.0362   -1.4973   -1.9042 H   0  0  0  0  0
   12.5275   -2.2134   -3.7363 H   0  0  0  0  0
   11.4908   -6.3072   -3.0369 H   0  0  0  0  0
    9.9701   -5.6319   -1.2071 H   0  0  0  0  0
    9.1937    1.9690    4.7052 H   0  0  0  0  0
    9.0804    4.0566    6.0404 H   0  0  0  0  0
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    4.2719    1.3113   -2.2711 H   0  0  0  0  0
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    6.4122    5.2507   -3.6005 H   0  0  0  0  0
    7.5729    4.0478   -4.2612 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
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  4  5  2  0  0  0
  4  7  1  0  0  0
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  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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 37 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2204936

>  <PubChem CID>
71454093

>  <Formula>
C27H23FN8O

>  <Molecular Weight>
494.534000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <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=CN(N=C7)C

>  <Isomeric SMILES>
CC1=NC(=NO1)[C@@]2(C3=C(C[C@@H](N2)C4=NC=C(N4)C5=CC=C(C=C5)F)C6=CC=CC=C6N3)C7=CN(N=C7)C

>  <InChI Std. ID>
InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27+/m1/s1

>  <InChI Key>
NTIFDLOQPKMIJK-AMGIVPHBSA-N

