
 SCHEMBL173062

 55 60  0  0  0  0  0  0  0  0999 V2000
    1.6769   -0.1162    1.0514 C   0  0  0  0  0
    1.6672   -0.0386   -0.4752 C   0  0  0  0  0
    2.3954    1.2633   -0.7975 C   0  0  0  0  0
    1.4037    2.4675   -0.8298 C   0  0  0  0  0
    2.1130    3.7019   -0.4115 C   0  0  0  0  0
    3.3674    3.7360    0.1592 C   0  0  0  0  0
    4.2008    2.5149    0.3771 C   0  0  0  0  0
    3.4067    1.2772    0.2854 N   0  0  0  0  0
    2.6923    0.9285    1.5108 C   0  0  0  0  0
    3.6670    5.1042    0.4197 C   0  0  0  0  0
    2.5637    5.8528    0.0125 C   0  0  0  0  0
    1.6271    4.9732   -0.4877 N   0  0  0  0  0
    2.5092    7.2523    0.1282 C   0  0  0  0  0
    3.6130    7.9485    0.6535 C   0  0  0  0  0
    4.7290    7.1925    1.0579 C   0  0  0  0  0
    4.7698    5.7897    0.9540 C   0  0  0  0  0
    3.6043    9.3982    0.7890 N   0  0  0  0  0
    4.4244   10.0346    1.7245 C   0  0  0  0  0
    4.4580   11.3633    1.8782 C   0  0  0  0  0
    3.6225   12.2184    1.0739 C   0  0  0  0  0
    2.8088   11.6594    0.1681 C   0  0  0  0  0
    2.7708   10.1836   -0.0444 C   0  0  0  0  0
    2.0376    9.7932   -0.9529 O   0  0  0  0  0
    3.6096   13.6835    1.2049 C   0  0  0  0  0
    4.4420   14.4706    0.4011 C   0  0  0  0  0
    4.4260   15.8633    0.5194 C   0  0  0  0  0
    3.5785   16.4900    1.4453 C   0  0  0  0  0
    2.7510   15.6944    2.2535 C   0  0  0  0  0
    2.7673   14.3020    2.1354 C   0  0  0  0  0
    3.5443   17.9932    1.5821 C   0  0  0  0  0
    2.3095   18.5105    1.3324 F   0  0  0  0  0
    3.8766   18.4087    2.8359 F   0  0  0  0  0
    4.3966   18.6384    0.7377 F   0  0  0  0  0
    0.6852    0.1070    1.4600 H   0  0  0  0  0
    1.9576   -1.1232    1.3785 H   0  0  0  0  0
    0.6522   -0.0813   -0.8829 H   0  0  0  0  0
    2.2241   -0.8919   -0.8832 H   0  0  0  0  0
    2.8983    1.1895   -1.7697 H   0  0  0  0  0
    0.5595    2.3018   -0.1493 H   0  0  0  0  0
    0.9952    2.5772   -1.8408 H   0  0  0  0  0
    4.9742    2.4831   -0.4001 H   0  0  0  0  0
    4.7246    2.5640    1.3390 H   0  0  0  0  0
    3.3684    0.5168    2.2671 H   0  0  0  0  0
    2.1678    1.7842    1.9529 H   0  0  0  0  0
    0.7285    5.2457   -0.8623 H   0  0  0  0  0
    1.5987    7.7588   -0.1703 H   0  0  0  0  0
    5.6314    7.6705    1.4271 H   0  0  0  0  0
    5.6564    5.2473    1.2694 H   0  0  0  0  0
    5.0309    9.4192    2.3779 H   0  0  0  0  0
    5.1006   11.8190    2.6258 H   0  0  0  0  0
    2.1497   12.2364   -0.4707 H   0  0  0  0  0
    5.1050   14.0046   -0.3255 H   0  0  0  0  0
    5.0785   16.4572   -0.1192 H   0  0  0  0  0
    2.0853   16.1603    2.9793 H   0  0  0  0  0
    2.1152   13.7044    2.7692 H   0  0  0  0  0
  1  2  1  0  0  0
  1  9  1  0  0  0
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  1 35  1  0  0  0
  2  3  1  0  0  0
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  2 37  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  2  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL173062

>  <PubChem CID>
49868780

>  <Formula>
C26H22F3N3O

>  <Molecular Weight>
449.477000

>  <IUPAC Name>
1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2CC3=C(CN2C1)C4=C(N3)C=C(C=C4)N5C=CC(=CC5=O)C6=CC=C(C=C6)C(F)(F)F

>  <Isomeric SMILES>
C1CC2CC3=C(CN2C1)C4=C(N3)C=C(C=C4)N5C=CC(=CC5=O)C6=CC=C(C=C6)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H22F3N3O/c27-26(28,29)18-5-3-16(4-6-18)17-9-11-32(25(33)12-17)20-7-8-21-22-15-31-10-1-2-19(31)13-24(22)30-23(21)14-20/h3-9,11-12,14,19,30H,1-2,10,13,15H2

>  <InChI Key>
ANFXZTQTWZJBEG-UHFFFAOYSA-N

