
 CHEMBL348555

 50 53  0  0  0  0  0  0  0  0999 V2000
    8.6376    1.0070    4.2155 C   0  0  0  0  0
    7.3936    1.6921    3.6728 C   0  0  0  0  0
    7.0510    1.1868    2.2720 C   0  0  0  0  0
    5.8083    1.7977    1.7950 N   0  0  0  0  0
    5.9307    2.9254    0.9569 C   0  0  0  0  0
    5.4556    4.1544    1.4513 C   0  0  0  0  0
    5.5471    5.3263    0.6994 C   0  0  0  0  0
    6.1013    5.2896   -0.5739 C   0  0  0  0  0
    6.5766    4.0834   -1.0895 C   0  0  0  0  0
    6.5265    2.8981   -0.3319 C   0  0  0  0  0
    7.0554    1.6620   -0.9180 C   0  0  0  0  0
    8.3070    1.5103   -1.5131 C   0  0  0  0  0
    8.4293    0.1675   -1.8178 N   0  0  0  0  0
    7.3480   -0.5566   -1.3739 C   0  0  0  0  0
    6.4420    0.3739   -0.9041 C   0  0  0  0  0
    7.2884   -2.0198   -1.3814 C   0  0  0  0  0
    6.0523   -2.6802   -1.4329 C   0  0  0  0  0
    5.9818   -4.0755   -1.3631 C   0  0  0  0  0
    7.1504   -4.8213   -1.2401 C   0  0  0  0  0
    8.3878   -4.1855   -1.1938 C   0  0  0  0  0
    8.4555   -2.7904   -1.2632 C   0  0  0  0  0
    7.0656   -6.5359   -1.1292 Cl  0  0  0  0  0
    9.4208    2.4332   -1.7651 C   0  0  0  0  0
    9.8323    3.3490   -0.7959 C   0  0  0  0  0
   10.8916    4.1937   -1.0857 C   0  0  0  0  0
   11.5698    4.1769   -2.2524 N   0  0  0  0  0
   11.1614    3.2817   -3.1745 C   0  0  0  0  0
   10.1073    2.4026   -2.9821 C   0  0  0  0  0
    8.8674    1.3773    5.2192 H   0  0  0  0  0
    9.5031    1.2008    3.5738 H   0  0  0  0  0
    8.4925   -0.0765    4.2777 H   0  0  0  0  0
    7.5547    2.7761    3.6519 H   0  0  0  0  0
    6.5546    1.5076    4.3545 H   0  0  0  0  0
    6.8928    0.1024    2.3093 H   0  0  0  0  0
    7.9004    1.3618    1.6040 H   0  0  0  0  0
    5.1414    1.9478    2.5465 H   0  0  0  0  0
    5.0125    4.2080    2.4427 H   0  0  0  0  0
    5.1783    6.2633    1.1080 H   0  0  0  0  0
    6.1631    6.1966   -1.1694 H   0  0  0  0  0
    6.9910    4.0739   -2.0952 H   0  0  0  0  0
    9.2532   -0.2401   -2.2342 H   0  0  0  0  0
    5.4741    0.1506   -0.4720 H   0  0  0  0  0
    5.1281   -2.1128   -1.5197 H   0  0  0  0  0
    5.0133   -4.5670   -1.3936 H   0  0  0  0  0
    9.3007   -4.7648   -1.0854 H   0  0  0  0  0
    9.4316   -2.3192   -1.1842 H   0  0  0  0  0
    9.3416    3.4135    0.1692 H   0  0  0  0  0
   11.2321    4.9287   -0.3621 H   0  0  0  0  0
   11.7201    3.2900   -4.1061 H   0  0  0  0  0
    9.8251    1.7238   -3.7794 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  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 48  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
 28 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL348555

>  <PubChem CID>
44373213

>  <Formula>
C24H22ClN3

>  <Molecular Weight>
387.911000

>  <IUPAC Name>
2-[5-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrol-3-yl]-N-propylaniline

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCNC1=CC=CC=C1C2=C(NC(=C2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

>  <Isomeric SMILES>
CCCNC1=CC=CC=C1C2=C(NC(=C2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C24H22ClN3/c1-2-13-27-22-6-4-3-5-20(22)21-16-23(17-7-9-19(25)10-8-17)28-24(21)18-11-14-26-15-12-18/h3-12,14-16,27-28H,2,13H2,1H3

>  <InChI Key>
BROAIVAKWDNNHD-UHFFFAOYSA-N

