
 CHEMBL402296

 60 64  0  0  0  0  0  0  0  0999 V2000
    1.3588    5.4953    1.5859 C   0  0  0  0  0
    1.9951    4.1307    1.3712 C   0  0  0  0  0
    1.1067    3.4008    0.4421 N   0  0  0  0  0
   -0.2483    3.8116    0.8941 C   0  0  0  0  0
   -0.1229    5.2058    1.5072 C   0  0  0  0  0
   -0.6812    5.2400    2.7387 F   0  0  0  0  0
   -0.7484    6.1362    0.7517 F   0  0  0  0  0
    1.3737    3.7942   -0.9580 C   0  0  0  0  0
    0.6077    2.9324   -1.9774 C   0  0  0  0  0
    0.9547    3.3143   -3.3969 C   0  0  0  0  0
    1.8683    2.5563   -4.1362 C   0  0  0  0  0
    2.1903    2.9152   -5.4493 C   0  0  0  0  0
    1.6178    4.0445   -6.0459 C   0  0  0  0  0
    0.7099    4.8052   -5.2975 C   0  0  0  0  0
    0.3801    4.4453   -3.9877 C   0  0  0  0  0
    1.9233    4.4006   -7.4299 C   0  0  0  0  0
    2.0195    5.6423   -7.9552 C   0  0  0  0  0
    2.3214    5.5951   -9.4391 C   0  0  0  0  0
    1.8153    4.1965   -9.6979 C   0  0  0  0  0
    2.2884    3.4062   -8.4876 C   0  0  0  0  0
    1.6502    2.0709   -8.8229 C   0  0  0  0  0
    1.8520    1.9442  -10.3077 N   0  0  0  0  0
    2.2358    3.2949  -10.8209 C   0  0  0  0  0
    0.6217    1.4222  -10.9280 C   0  0  0  0  0
    0.7306    1.2021  -12.4216 C   0  0  0  0  0
    1.6743    0.3106  -12.9505 C   0  0  0  0  0
    1.7655    0.1113  -14.3294 C   0  0  0  0  0
    0.9155    0.8019  -15.1929 C   0  0  0  0  0
   -0.0276    1.6886  -14.6796 C   0  0  0  0  0
   -0.1229    1.8859  -13.3019 C   0  0  0  0  0
    1.6460    5.9220    2.5513 H   0  0  0  0  0
    1.6582    6.1911    0.7945 H   0  0  0  0  0
    2.0284    3.5839    2.3223 H   0  0  0  0  0
    3.0280    4.2041    1.0136 H   0  0  0  0  0
   -1.0016    3.7820    0.1027 H   0  0  0  0  0
   -0.5683    3.1029    1.6675 H   0  0  0  0  0
    2.4459    3.6610   -1.1564 H   0  0  0  0  0
    1.1561    4.8568   -1.1248 H   0  0  0  0  0
   -0.4766    3.0342   -1.8537 H   0  0  0  0  0
    0.8319    1.8705   -1.8140 H   0  0  0  0  0
    2.3372    1.6783   -3.6972 H   0  0  0  0  0
    2.9093    2.3058   -5.9912 H   0  0  0  0  0
    0.2312    5.6788   -5.7338 H   0  0  0  0  0
   -0.3347    5.0527   -3.4367 H   0  0  0  0  0
    1.8848    6.5691   -7.4148 H   0  0  0  0  0
    3.3905    5.7225   -9.6321 H   0  0  0  0  0
    1.7488    6.3403   -9.9974 H   0  0  0  0  0
    0.7101    4.2529   -9.7232 H   0  0  0  0  0
    3.3837    3.2836   -8.4809 H   0  0  0  0  0
    2.1437    1.2419   -8.3059 H   0  0  0  0  0
    0.5900    2.0685   -8.5390 H   0  0  0  0  0
    1.7722    3.5756  -11.7706 H   0  0  0  0  0
    3.3227    3.3181  -10.9633 H   0  0  0  0  0
   -0.2267    2.0863  -10.7147 H   0  0  0  0  0
    0.3746    0.4510  -10.4786 H   0  0  0  0  0
    2.3472   -0.2241  -12.2832 H   0  0  0  0  0
    2.5034   -0.5783  -14.7291 H   0  0  0  0  0
    0.9907    0.6496  -16.2663 H   0  0  0  0  0
   -0.6891    2.2295  -15.3515 H   0  0  0  0  0
   -0.8628    2.5840  -12.9168 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 12 13  2  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 43  1  0  0  0
 15 44  1  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 23 52  1  0  0  0
 23 53  1  0  0  0
 24 25  1  0  0  0
 24 54  1  0  0  0
 24 55  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 56  1  0  0  0
 27 28  2  0  0  0
 27 57  1  0  0  0
 28 29  1  0  0  0
 28 58  1  0  0  0
 29 30  2  0  0  0
 29 59  1  0  0  0
 30 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL402296

>  <PubChem CID>
44454743

>  <Formula>
C26H30F2N2

>  <Molecular Weight>
408.537000

>  <IUPAC Name>
2-benzyl-4-[4-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CC1(F)F)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CC1(F)F)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C26H30F2N2/c27-26(28)13-15-29(19-26)14-12-20-6-8-22(9-7-20)24-11-10-23-17-30(18-25(23)24)16-21-4-2-1-3-5-21/h1-9,11,23,25H,10,12-19H2

>  <InChI Key>
ARXINUPRMISVLG-UHFFFAOYSA-N

