
 CHEMBL2204934

 62 68  0  0  0  0  0  0  0  0999 V2000
   -1.7575   -0.5660   -0.8377 C   0  0  0  0  0
   -3.1792   -0.5063   -0.2056 C   0  0  0  0  0
   -3.5705    0.8394    0.2746 N   0  0  0  0  0
   -2.6733    1.4176    1.3227 C   0  0  0  0  0
   -1.2431    1.2020    0.8539 C   0  0  0  0  0
   -0.8036    0.2849   -0.0800 C   0  0  0  0  0
    0.6140    0.3462   -0.1234 C   0  0  0  0  0
    1.6081   -0.3505   -0.8368 C   0  0  0  0  0
    2.9552   -0.0483   -0.6076 C   0  0  0  0  0
    3.3168    0.9356    0.3102 C   0  0  0  0  0
    2.3478    1.6507    1.0205 C   0  0  0  0  0
    1.0052    1.3345    0.7827 C   0  0  0  0  0
   -0.1412    1.8685    1.3296 N   0  0  0  0  0
   -2.9381    2.9537    1.3840 C   0  0  0  0  0
   -3.2585    3.6680    0.2094 C   0  0  0  0  0
   -3.4615    5.0490    0.2277 C   0  0  0  0  0
   -3.3310    5.7538    1.4188 C   0  0  0  0  0
   -2.9891    5.0802    2.5886 C   0  0  0  0  0
   -2.7862    3.6963    2.5717 C   0  0  0  0  0
   -2.9642    0.7077    2.6828 C   0  0  0  0  0
   -1.9966   -0.0587    3.3656 C   0  0  0  0  0
   -2.2790   -0.6650    4.5934 C   0  0  0  0  0
   -3.5397   -0.5339    5.1641 C   0  0  0  0  0
   -4.5210    0.2014    4.5070 C   0  0  0  0  0
   -4.2386    0.8146    3.2823 C   0  0  0  0  0
   -4.1910   -0.9474   -1.2342 C   0  0  0  0  0
   -4.8856   -2.0634   -1.2621 N   0  0  0  0  0
   -5.6461   -1.9880   -2.4039 C   0  0  0  0  0
   -5.4236   -0.8120   -3.1026 C   0  0  0  0  0
   -4.5139   -0.1516   -2.3082 N   0  0  0  0  0
   -5.9651   -0.2945   -4.3648 C   0  0  0  0  0
   -5.4899    0.8984   -4.9365 C   0  0  0  0  0
   -6.0099    1.3729   -6.1472 C   0  0  0  0  0
   -7.0061    0.6564   -6.7940 C   0  0  0  0  0
   -7.4929   -0.5252   -6.2549 C   0  0  0  0  0
   -6.9740   -0.9982   -5.0449 C   0  0  0  0  0
   -7.5014    1.1104   -7.9525 F   0  0  0  0  0
   -1.7729   -0.2038   -1.8745 H   0  0  0  0  0
   -1.4095   -1.6053   -0.8661 H   0  0  0  0  0
   -3.2227   -1.2126    0.6339 H   0  0  0  0  0
   -4.5042    0.7694    0.6736 H   0  0  0  0  0
    1.3358   -1.1234   -1.5490 H   0  0  0  0  0
    3.7255   -0.5911   -1.1496 H   0  0  0  0  0
    4.3695    1.1522    0.4770 H   0  0  0  0  0
    2.6332    2.4179    1.7326 H   0  0  0  0  0
   -0.1602    2.6138    2.0124 H   0  0  0  0  0
   -3.3430    3.1451   -0.7407 H   0  0  0  0  0
   -3.7150    5.5715   -0.6913 H   0  0  0  0  0
   -3.4879    6.8291    1.4342 H   0  0  0  0  0
   -2.8785    5.6331    3.5182 H   0  0  0  0  0
   -2.5096    3.2083    3.5043 H   0  0  0  0  0
   -0.9997   -0.2081    2.9574 H   0  0  0  0  0
   -1.5101   -1.2447    5.0989 H   0  0  0  0  0
   -3.7579   -1.0094    6.1167 H   0  0  0  0  0
   -5.5096    0.3002    4.9486 H   0  0  0  0  0
   -5.0252    1.3952    2.8035 H   0  0  0  0  0
   -6.3122   -2.7992   -2.6676 H   0  0  0  0  0
   -4.1307    0.7705   -2.4547 H   0  0  0  0  0
   -4.7044    1.4803   -4.4644 H   0  0  0  0  0
   -5.6393    2.2935   -6.5864 H   0  0  0  0  0
   -8.2709   -1.0738   -6.7759 H   0  0  0  0  0
   -7.3724   -1.9270   -4.6446 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 14  1  0  0  0
  5  6  2  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  9 10  2  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 12  2  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 13 46  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 16 17  2  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 18 19  2  0  0  0
 18 50  1  0  0  0
 19 51  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 52  1  0  0  0
 22 23  2  0  0  0
 22 53  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 24 25  2  0  0  0
 24 55  1  0  0  0
 25 56  1  0  0  0
 26 27  2  0  0  0
 26 30  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 28 57  1  0  0  0
 29 30  1  0  0  0
 29 31  1  0  0  0
 30 58  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 59  1  0  0  0
 33 34  2  0  0  0
 33 60  1  0  0  0
 34 35  1  0  0  0
 34 37  1  0  0  0
 35 36  2  0  0  0
 35 61  1  0  0  0
 36 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2204934

>  <PubChem CID>
71452298

>  <Formula>
C32H25FN4

>  <Molecular Weight>
484.578000

>  <IUPAC Name>
(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(NC(C2=C1C3=CC=CC=C3N2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=NC=C(N6)C7=CC=C(C=C7)F

>  <Isomeric SMILES>
C1[C@@H](NC(C2=C1C3=CC=CC=C3N2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=NC=C(N6)C7=CC=C(C=C7)F

>  <InChI Std. ID>
InChI=1S/C32H25FN4/c33-24-17-15-21(16-18-24)29-20-34-31(36-29)28-19-26-25-13-7-8-14-27(25)35-30(26)32(37-28,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,20,28,35,37H,19H2,(H,34,36)/t28-/m1/s1

>  <InChI Key>
MPQQLIGMXDXMJD-MUUNZHRXSA-N

