
 CHEMBL225073

 63 65  0  0  0  0  0  0  0  0999 V2000
    0.3003   -2.1988    0.8171 C   0  0  0  0  0
    0.2286   -1.3352   -0.4476 C   0  0  0  0  0
    0.9518   -2.0336   -1.6333 C   0  0  0  0  0
    2.4735   -2.1610   -1.4338 C   0  0  0  0  0
    3.1513   -2.8010   -2.5658 N   0  0  0  0  0
    4.6055   -2.8319   -2.3757 C   0  0  0  0  0
    5.0519   -3.9092   -3.3450 C   0  0  0  0  0
    4.0043   -4.9955   -3.1252 C   0  0  0  0  0
    2.7232   -4.1916   -2.8125 C   0  0  0  0  0
    3.8486   -5.9351   -4.2397 N   0  0  0  0  0
    5.0386   -6.7734   -4.4153 C   0  0  0  0  0
    4.8847   -7.7457   -5.5339 C   0  0  0  0  0
    4.0798   -7.8244   -6.6506 C   0  0  0  0  0
    4.4659   -8.9996   -7.3429 C   0  0  0  0  0
    5.4849   -9.5782   -6.6119 C   0  0  0  0  0
    5.7414   -8.8084   -5.5118 O   0  0  0  0  0
    6.3076  -10.7772   -6.7677 C   0  0  0  0  0
    7.2463  -11.1476   -5.7919 C   0  0  0  0  0
    8.0345  -12.2942   -5.9455 C   0  0  0  0  0
    7.8889  -13.0835   -7.0824 C   0  0  0  0  0
    6.9637  -12.7377   -8.0626 C   0  0  0  0  0
    6.1768  -11.5903   -7.9051 C   0  0  0  0  0
    8.8572  -14.4916   -7.2770 Cl  0  0  0  0  0
   -1.2368   -1.0402   -0.8669 C   0  0  0  0  0
   -2.1163   -0.0973    0.0083 C   0  0  0  0  0
   -2.3982   -0.6534    1.4128 C   0  0  0  0  0
   -1.4762    1.2945    0.1340 C   0  0  0  0  0
   -3.4783    0.0565   -0.7051 C   0  0  0  0  0
    0.2418   -1.5765    1.7121 H   0  0  0  0  0
    1.2374   -2.7531    0.9084 H   0  0  0  0  0
   -0.5095   -2.9336    0.8476 H   0  0  0  0  0
    0.7501   -0.3885   -0.2597 H   0  0  0  0  0
    0.7797   -1.4554   -2.5501 H   0  0  0  0  0
    0.4980   -3.0182   -1.7913 H   0  0  0  0  0
    2.7036   -2.7139   -0.5176 H   0  0  0  0  0
    2.8822   -1.1496   -1.3063 H   0  0  0  0  0
    4.8783   -3.1184   -1.3511 H   0  0  0  0  0
    5.0656   -1.8662   -2.6048 H   0  0  0  0  0
    5.0280   -3.5309   -4.3752 H   0  0  0  0  0
    6.0674   -4.2585   -3.1293 H   0  0  0  0  0
    4.2628   -5.5567   -2.2150 H   0  0  0  0  0
    2.0223   -4.1976   -3.6550 H   0  0  0  0  0
    2.2169   -4.6484   -1.9525 H   0  0  0  0  0
    3.6911   -5.4041   -5.0953 H   0  0  0  0  0
    5.2328   -7.3328   -3.4918 H   0  0  0  0  0
    5.9191   -6.1569   -4.6274 H   0  0  0  0  0
    3.3085   -7.1208   -6.9314 H   0  0  0  0  0
    4.0455   -9.3738   -8.2644 H   0  0  0  0  0
    7.3741  -10.5442   -4.8949 H   0  0  0  0  0
    8.7538  -12.5593   -5.1764 H   0  0  0  0  0
    6.8473  -13.3519   -8.9515 H   0  0  0  0  0
    5.4629  -11.3416   -8.6859 H   0  0  0  0  0
   -1.7606   -1.9983   -0.9874 H   0  0  0  0  0
   -1.2056   -0.5989   -1.8732 H   0  0  0  0  0
   -2.7057   -1.7032    1.3710 H   0  0  0  0  0
   -3.2028   -0.0942    1.9029 H   0  0  0  0  0
   -1.5311   -0.5681    2.0699 H   0  0  0  0  0
   -1.2635    1.7221   -0.8513 H   0  0  0  0  0
   -0.5380    1.2578    0.6965 H   0  0  0  0  0
   -2.1431    1.9876    0.6590 H   0  0  0  0  0
   -3.3584    0.4802   -1.7093 H   0  0  0  0  0
   -4.1505    0.7192   -0.1460 H   0  0  0  0  0
   -3.9808   -0.9131   -0.8080 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 24  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  9  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 41  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 11 45  1  0  0  0
 11 46  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 47  1  0  0  0
 14 15  2  0  0  0
 14 48  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 49  1  0  0  0
 19 20  2  0  0  0
 19 50  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 51  1  0  0  0
 22 52  1  0  0  0
 24 25  1  0  0  0
 24 53  1  0  0  0
 24 54  1  0  0  0
 25 28  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
 26 55  1  0  0  0
 26 56  1  0  0  0
 26 57  1  0  0  0
 27 58  1  0  0  0
 27 59  1  0  0  0
 27 60  1  0  0  0
 28 61  1  0  0  0
 28 62  1  0  0  0
 28 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL225073

>  <PubChem CID>
11273638

>  <Formula>
C24H35ClN2O

>  <Molecular Weight>
403.007000

>  <IUPAC Name>
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-(3,5,5-trimethylhexyl)pyrrolidin-3-amine

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CCN1CCC(C1)NCC2=CC=C(O2)C3=CC=C(C=C3)Cl)CC(C)(C)C

>  <Isomeric SMILES>
CC(CCN1CCC(C1)NCC2=CC=C(O2)C3=CC=C(C=C3)Cl)CC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C24H35ClN2O/c1-18(15-24(2,3)4)11-13-27-14-12-21(17-27)26-16-22-9-10-23(28-22)19-5-7-20(25)8-6-19/h5-10,18,21,26H,11-17H2,1-4H3

>  <InChI Key>
HVSUVGONQPOCEW-UHFFFAOYSA-N

