
 CHEMBL1760207

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.5013    1.4944   -1.2245 C   0  0  0  0  0
    2.8821    1.0128   -0.9553 C   0  0  0  0  0
    3.9652    1.6554   -0.3715 C   0  0  0  0  0
    5.0278    0.7019   -0.3535 C   0  0  0  0  0
    4.5798   -0.4841   -0.9093 C   0  0  0  0  0
    3.2770   -0.2595   -1.2909 N   0  0  0  0  0
    5.2600   -1.7686   -1.0845 C   0  0  0  0  0
    4.5590   -2.9794   -0.9789 C   0  0  0  0  0
    5.2213   -4.2030   -1.1217 C   0  0  0  0  0
    6.5910   -4.2239   -1.3706 C   0  0  0  0  0
    7.3033   -3.0328   -1.4786 C   0  0  0  0  0
    6.6392   -1.8105   -1.3342 C   0  0  0  0  0
    7.4074   -5.7285   -1.5379 Cl  0  0  0  0  0
    3.9585    3.0149    0.1766 C   0  0  0  0  0
    2.9704    3.4551    0.7616 O   0  0  0  0  0
    5.1313    3.7682    0.0253 N   0  0  0  0  0
    5.8390    3.7741   -1.2535 C   0  0  0  0  0
    5.1775    4.7644   -2.2375 C   0  0  0  0  0
    5.0537    6.1361   -1.6553 N   0  0  0  0  0
    4.4775    6.1405   -0.2793 C   0  0  0  0  0
    5.1409    5.0935    0.6379 C   0  0  0  0  0
    4.5554    7.1046   -2.5788 C   0  0  0  0  0
    5.1324    7.1524   -3.8711 C   0  0  0  0  0
    4.6907    8.0244   -4.8717 C   0  0  0  0  0
    3.6740    8.9234   -4.6024 C   0  0  0  0  0
    3.1182    8.9607   -3.3279 C   0  0  0  0  0
    3.5390    8.0684   -2.3211 C   0  0  0  0  0
    3.0100    8.1723   -1.0565 O   0  0  0  0  0
    1.6386    8.5388   -0.9631 C   0  0  0  0  0
    1.5216    2.3347   -1.9258 H   0  0  0  0  0
    1.0205    1.8253   -0.2987 H   0  0  0  0  0
    0.8779    0.7065   -1.6603 H   0  0  0  0  0
    6.0103    0.8633    0.0723 H   0  0  0  0  0
    2.6856   -0.9446   -1.7441 H   0  0  0  0  0
    3.4952   -2.9896   -0.7548 H   0  0  0  0  0
    4.6649   -5.1316   -1.0260 H   0  0  0  0  0
    8.3728   -3.0452   -1.6699 H   0  0  0  0  0
    7.2111   -0.8898   -1.4229 H   0  0  0  0  0
    5.8680    2.7837   -1.7111 H   0  0  0  0  0
    6.8755    4.0739   -1.0550 H   0  0  0  0  0
    5.8016    4.7539   -3.1356 H   0  0  0  0  0
    4.1796    4.3988   -2.5119 H   0  0  0  0  0
    4.6437    7.1133    0.1961 H   0  0  0  0  0
    3.4043    5.9200   -0.3290 H   0  0  0  0  0
    6.1871    5.3646    0.8251 H   0  0  0  0  0
    4.6305    5.0645    1.6073 H   0  0  0  0  0
    5.9755    6.5155   -4.1219 H   0  0  0  0  0
    5.1598    8.0064   -5.8519 H   0  0  0  0  0
    3.3343    9.6146   -5.3683 H   0  0  0  0  0
    2.3661    9.7174   -3.1291 H   0  0  0  0  0
    1.5160    9.6197   -1.0825 H   0  0  0  0  0
    1.2952    8.2795    0.0431 H   0  0  0  0  0
    1.0211    7.9883   -1.6807 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 38  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 26 27  2  0  0  0
 26 50  1  0  0  0
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 29 51  1  0  0  0
 29 52  1  0  0  0
 29 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1760207

>  <PubChem CID>
54584865

>  <Formula>
C23H24ClN3O2

>  <Molecular Weight>
409.914000

>  <IUPAC Name>
[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C=C(N1)C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

>  <Isomeric SMILES>
CC1=C(C=C(N1)C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

>  <InChI Std. ID>
InChI=1S/C23H24ClN3O2/c1-16-19(15-20(25-16)17-7-9-18(24)10-8-17)23(28)27-13-11-26(12-14-27)21-5-3-4-6-22(21)29-2/h3-10,15,25H,11-14H2,1-2H3

>  <InChI Key>
BWZWPNQYJPXCPE-UHFFFAOYSA-N

