
 CHEMBL15808

 60 64  0  0  0  0  0  0  0  0999 V2000
    4.9543   -0.6703    1.5074 C   0  0  0  0  0
    4.3294    0.5363    0.9677 N   0  0  0  0  0
    5.2818    1.3183    0.1439 C   0  0  0  0  0
    5.6605    0.6992   -1.2267 C   0  0  0  0  0
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    3.4818   -0.4729   -1.2171 C   0  0  0  0  0
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    4.7502   -0.1157   -3.3009 C   0  0  0  0  0
    5.1338    0.7984   -4.3114 C   0  0  0  0  0
    5.4239    0.3418   -5.6038 C   0  0  0  0  0
    5.2994   -1.0123   -5.9229 C   0  0  0  0  0
    4.9014   -1.9314   -4.9528 C   0  0  0  0  0
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    4.7966   -3.2872   -5.3341 N   0  0  0  0  0
    4.2142   -4.3108   -4.6133 C   0  0  0  0  0
    3.5431   -4.1499   -3.5968 O   0  0  0  0  0
    4.4302   -5.5857   -5.1502 N   0  0  0  0  0
    3.8183   -6.7094   -4.4067 C   0  0  0  0  0
    3.4633   -7.9087   -5.3058 C   0  0  0  0  0
    4.6103   -8.1756   -6.2070 C   0  0  0  0  0
    5.6010   -7.2641   -6.5007 C   0  0  0  0  0
    5.6552   -5.8890   -5.9221 C   0  0  0  0  0
    6.5004   -7.9050   -7.4008 C   0  0  0  0  0
    6.0128   -9.1991   -7.6205 C   0  0  0  0  0
    4.8542   -9.3333   -6.8839 N   0  0  0  0  0
    6.6566  -10.1196   -8.4584 C   0  0  0  0  0
    7.8322   -9.7042   -9.0885 C   0  0  0  0  0
    8.3299   -8.4239   -8.8829 C   0  0  0  0  0
    7.6867   -7.5107   -8.0480 C   0  0  0  0  0
    9.4593   -8.0543   -9.5027 F   0  0  0  0  0
    5.2351    2.1246   -3.9588 O   0  0  0  0  0
    4.9162    3.0591   -4.9827 C   0  0  0  0  0
    4.2352   -1.2362    2.1105 H   0  0  0  0  0
    5.7790   -0.4017    2.1769 H   0  0  0  0  0
    5.3511   -1.3415    0.7388 H   0  0  0  0  0
    6.1943    1.5161    0.7194 H   0  0  0  0  0
    4.8284    2.3019   -0.0372 H   0  0  0  0  0
    6.2673    1.4349   -1.7670 H   0  0  0  0  0
    6.2874   -0.1887   -1.0722 H   0  0  0  0  0
    2.5515   -0.5848   -1.7872 H   0  0  0  0  0
    3.8752   -1.4735   -1.0069 H   0  0  0  0  0
    2.6131    1.1453   -0.0738 H   0  0  0  0  0
    2.4535   -0.4174    0.6957 H   0  0  0  0  0
    5.7548    1.0231   -6.3806 H   0  0  0  0  0
    5.5209   -1.3316   -6.9374 H   0  0  0  0  0
    4.4112   -2.1999   -2.8879 H   0  0  0  0  0
    4.9275   -3.4718   -6.3158 H   0  0  0  0  0
    2.9088   -6.3814   -3.8911 H   0  0  0  0  0
    4.5392   -7.0074   -3.6342 H   0  0  0  0  0
    2.5834   -7.6641   -5.9127 H   0  0  0  0  0
    3.2211   -8.7816   -4.6913 H   0  0  0  0  0
    6.5086   -5.7958   -5.2407 H   0  0  0  0  0
    5.7826   -5.1664   -6.7329 H   0  0  0  0  0
    4.2833  -10.1675   -6.8552 H   0  0  0  0  0
    6.2630  -11.1183   -8.6144 H   0  0  0  0  0
    8.3681  -10.3821   -9.7460 H   0  0  0  0  0
    8.1070   -6.5208   -7.9107 H   0  0  0  0  0
    4.7604    4.0336   -4.5100 H   0  0  0  0  0
    3.9923    2.7900   -5.5064 H   0  0  0  0  0
    5.7486    3.1637   -5.6859 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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 32 58  1  0  0  0
 32 59  1  0  0  0
 32 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL15808

>  <PubChem CID>
10646633

>  <Formula>
C24H28FN5O2

>  <Molecular Weight>
437.519000

>  <IUPAC Name>
8-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCC4=C(C3)C5=C(N4)C=CC(=C5)F)OC

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCC4=C(C3)C5=C(N4)C=CC(=C5)F)OC

>  <InChI Std. ID>
InChI=1S/C24H28FN5O2/c1-28-9-11-29(12-10-28)22-14-17(4-6-23(22)32-2)26-24(31)30-8-7-21-19(15-30)18-13-16(25)3-5-20(18)27-21/h3-6,13-14,27H,7-12,15H2,1-2H3,(H,26,31)

>  <InChI Key>
OKAPXVXSORGNAI-UHFFFAOYSA-N

