
 CHEMBL60961

 48 50  0  0  0  0  0  0  0  0999 V2000
    5.1140   -2.8419   -0.4597 C   0  0  0  0  0
    4.1461   -3.8319   -0.5553 C   0  0  0  0  0
    2.8195   -3.4425   -0.6014 C   0  0  0  0  0
    2.4105   -2.1551   -0.5531 N   0  0  0  0  0
    3.3645   -1.1921   -0.4605 C   0  0  0  0  0
    4.7242   -1.5055   -0.4166 C   0  0  0  0  0
    2.8683    0.2498   -0.4292 C   0  0  0  0  0
    3.4555    1.0449    0.7624 C   0  0  0  0  0
    2.7777    2.4091    0.9415 C   0  0  0  0  0
    3.3741    3.1153    2.0787 N   0  0  0  0  0
    2.8420    4.4748    2.1858 C   0  0  0  0  0
    3.4923    5.1934    3.3691 C   0  0  0  0  0
    2.9705    6.6265    3.4907 C   0  0  0  0  0
    3.5934    7.3382    4.6378 C   0  0  0  0  0
    4.7238    8.1187    4.7378 C   0  0  0  0  0
    4.8981    8.5670    6.0212 N   0  0  0  0  0
    3.8916    8.0708    6.7014 C   0  0  0  0  0
    3.0725    7.3187    5.9085 N   0  0  0  0  0
    3.0211    0.9244   -1.7928 C   0  0  0  0  0
    1.9621    0.8405   -2.7145 C   0  0  0  0  0
    2.0506    1.4517   -3.9672 C   0  0  0  0  0
    3.2050    2.1454   -4.3160 C   0  0  0  0  0
    4.2742    2.2230   -3.4277 C   0  0  0  0  0
    4.1863    1.6093   -2.1744 C   0  0  0  0  0
    3.3142    2.9085   -5.8538 Cl  0  0  0  0  0
    6.1667   -3.1064   -0.4233 H   0  0  0  0  0
    4.4173   -4.8804   -0.5962 H   0  0  0  0  0
    2.0234   -4.1776   -0.6818 H   0  0  0  0  0
    5.4791   -0.7298   -0.3538 H   0  0  0  0  0
    1.7876    0.1945   -0.2266 H   0  0  0  0  0
    4.5377    1.1846    0.6503 H   0  0  0  0  0
    3.3193    0.4592    1.6826 H   0  0  0  0  0
    1.7051    2.2648    1.1177 H   0  0  0  0  0
    2.8944    3.0097    0.0331 H   0  0  0  0  0
    4.3869    3.1588    1.9655 H   0  0  0  0  0
    1.7559    4.4414    2.3314 H   0  0  0  0  0
    3.0453    5.0342    1.2644 H   0  0  0  0  0
    4.5832    5.2078    3.2443 H   0  0  0  0  0
    3.2875    4.6423    4.2963 H   0  0  0  0  0
    1.8798    6.6187    3.6079 H   0  0  0  0  0
    3.1836    7.1778    2.5664 H   0  0  0  0  0
    5.4233    8.3816    3.9539 H   0  0  0  0  0
    3.7044    8.2185    7.7564 H   0  0  0  0  0
    2.2380    6.8359    6.2101 H   0  0  0  0  0
    1.0579    0.2890   -2.4590 H   0  0  0  0  0
    1.2184    1.3785   -4.6620 H   0  0  0  0  0
    5.1793    2.7576   -3.7035 H   0  0  0  0  0
    5.0401    1.6798   -1.5055 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 29  1  0  0  0
  7 19  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL60961

>  <PubChem CID>
23562971

>  <Formula>
C20H23ClN4

>  <Molecular Weight>
354.882000

>  <IUPAC Name>
3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine

>  <XlogP>
3.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=NC(=C1)C(CCNCCCC2=CN=CN2)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1=CC=NC(=C1)C(CCNCCCC2=CN=CN2)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C20H23ClN4/c21-17-8-6-16(7-9-17)19(20-5-1-2-12-24-20)10-13-22-11-3-4-18-14-23-15-25-18/h1-2,5-9,12,14-15,19,22H,3-4,10-11,13H2,(H,23,25)

>  <InChI Key>
JSFCRCOLLFTCQM-UHFFFAOYSA-N

