
 CHEMBL298649

 50 54  0  0  0  0  0  0  0  0999 V2000
    0.5814    0.3469    0.2087 C   0  0  0  0  0
    2.0282    0.1353    0.5489 C   0  0  0  0  0
    2.9382    1.2006    0.5029 C   0  0  0  0  0
    4.2626    0.9093    0.8566 C   0  0  0  0  0
    4.7330   -0.3107    1.2303 N   0  0  0  0  0
    3.8240   -1.3047    1.2532 C   0  0  0  0  0
    2.4846   -1.1348    0.9298 C   0  0  0  0  0
    5.1441    2.0031    0.7938 N   0  0  0  0  0
    6.4915    2.0277    1.0638 C   0  0  0  0  0
    6.9547    3.2993    0.8088 C   0  0  0  0  0
    5.8464    4.0695    0.3767 C   0  0  0  0  0
    4.7261    3.2566    0.4116 C   0  0  0  0  0
    3.3316    3.4991    0.0816 C   0  0  0  0  0
    2.4963    2.4893    0.1189 N   0  0  0  0  0
    2.8553    4.7557   -0.2862 N   0  0  0  0  0
    2.9583    5.8483    0.7012 C   0  0  0  0  0
    2.7201    7.2187    0.0334 C   0  0  0  0  0
    1.4479    7.3402   -0.7159 N   0  0  0  0  0
    1.3727    6.2102   -1.6724 C   0  0  0  0  0
    1.5963    4.8093   -1.0589 C   0  0  0  0  0
    0.2636    7.3655    0.1596 C   0  0  0  0  0
    0.2143    8.5749    1.0719 C   0  0  0  0  0
    0.1909    8.4136    2.4671 C   0  0  0  0  0
    0.1485    9.5288    3.3052 C   0  0  0  0  0
    0.1256   10.8032    2.7513 C   0  0  0  0  0
    0.1438   10.9856    1.3741 C   0  0  0  0  0
    0.1873    9.8725    0.5338 C   0  0  0  0  0
    0.0862   11.8714    3.5585 F   0  0  0  0  0
    0.0177   -0.5911    0.2557 H   0  0  0  0  0
    0.4807    0.7416   -0.8074 H   0  0  0  0  0
    0.1244    1.0452    0.9176 H   0  0  0  0  0
    4.2074   -2.2777    1.5484 H   0  0  0  0  0
    1.8097   -1.9838    0.9753 H   0  0  0  0  0
    7.0020    1.1325    1.3961 H   0  0  0  0  0
    7.9804    3.6303    0.9088 H   0  0  0  0  0
    5.8673    5.1071    0.0711 H   0  0  0  0  0
    3.9460    5.8683    1.1704 H   0  0  0  0  0
    2.2325    5.6811    1.5060 H   0  0  0  0  0
    2.8113    8.0129    0.7826 H   0  0  0  0  0
    3.5385    7.4029   -0.6762 H   0  0  0  0  0
    0.4131    6.2297   -2.2037 H   0  0  0  0  0
    2.1374    6.3767   -2.4431 H   0  0  0  0  0
    0.7504    4.5365   -0.4163 H   0  0  0  0  0
    1.6365    4.0828   -1.8801 H   0  0  0  0  0
    0.1779    6.4496    0.7560 H   0  0  0  0  0
   -0.6435    7.4070   -0.4588 H   0  0  0  0  0
    0.2086    7.4200    2.9091 H   0  0  0  0  0
    0.1334    9.4125    4.3841 H   0  0  0  0  0
    0.1278   11.9899    0.9638 H   0  0  0  0  0
    0.2120   10.0137   -0.5452 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
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  8  9  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
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 27 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL298649

>  <PubChem CID>
10714509

>  <Formula>
C22H22FN5

>  <Molecular Weight>
375.451000

>  <IUPAC Name>


>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C2C(=NC=C1)N3C=CC=C3C(=N2)N4CCN(CC4)CC5=CC=C(C=C5)F

>  <Isomeric SMILES>
CC1=C2C(=NC=C1)N3C=CC=C3C(=N2)N4CCN(CC4)CC5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C22H22FN5/c1-16-8-9-24-22-20(16)25-21(19-3-2-10-28(19)22)27-13-11-26(12-14-27)15-17-4-6-18(23)7-5-17/h2-10H,11-15H2,1H3

>  <InChI Key>
AOIREBHOLIZUIV-UHFFFAOYSA-N

