
 CHEMBL343466

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.6662    1.2866   -0.4356 C   0  0  0  0  0
   -0.8459    1.2770   -0.7440 C   0  0  0  0  0
   -1.2051    0.1826   -1.6732 N   0  0  0  0  0
   -0.6231   -1.1302   -1.3434 C   0  0  0  0  0
    0.8821   -1.0208   -0.9813 C   0  0  0  0  0
    1.2260   -0.0014    0.0358 N   0  0  0  0  0
    0.7226   -0.4113    1.3571 C   0  0  0  0  0
    1.0795    0.5847    2.4183 C   0  0  0  0  0
    2.3424    0.9371    2.8652 C   0  0  0  0  0
    2.2437    1.8937    3.8589 N   0  0  0  0  0
    0.8950    2.1397    4.0418 C   0  0  0  0  0
    0.1642    1.3518    3.1827 C   0  0  0  0  0
    3.3226    2.5072    4.5717 C   0  0  0  0  0
    3.0766    3.5293    5.5026 C   0  0  0  0  0
    4.1305    4.1227    6.2050 C   0  0  0  0  0
    5.4395    3.7040    5.9883 C   0  0  0  0  0
    5.6980    2.6933    5.0664 C   0  0  0  0  0
    4.6477    2.0976    4.3589 C   0  0  0  0  0
   -2.5542    0.2201   -2.0628 C   0  0  0  0  0
   -3.1390   -0.8083   -2.8060 C   0  0  0  0  0
   -4.4733   -0.7199   -3.2114 C   0  0  0  0  0
   -5.2092    0.4062   -2.8869 C   0  0  0  0  0
   -4.5730    1.3932   -2.1648 C   0  0  0  0  0
   -3.2869    1.3169   -1.7547 N   0  0  0  0  0
    1.2018    1.5628   -1.3545 H   0  0  0  0  0
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   -0.6836   -1.8104   -2.1999 H   0  0  0  0  0
    1.2527   -2.0042   -0.6670 H   0  0  0  0  0
    1.4390   -0.7803   -1.8973 H   0  0  0  0  0
    1.1843   -1.3683    1.6355 H   0  0  0  0  0
   -0.3614   -0.5741    1.3598 H   0  0  0  0  0
    3.2979    0.5779    2.5135 H   0  0  0  0  0
    0.5372    2.8464    4.7742 H   0  0  0  0  0
   -0.9159    1.3350    3.1104 H   0  0  0  0  0
    2.0768    3.8999    5.7045 H   0  0  0  0  0
    3.9251    4.9145    6.9210 H   0  0  0  0  0
    6.2569    4.1650    6.5366 H   0  0  0  0  0
    6.7198    2.3638    4.8968 H   0  0  0  0  0
    4.9036    1.3097    3.6578 H   0  0  0  0  0
   -2.5752   -1.6829   -3.1039 H   0  0  0  0  0
   -4.9222   -1.5226   -3.7887 H   0  0  0  0  0
   -6.2418    0.5170   -3.1951 H   0  0  0  0  0
   -5.0894    2.3077   -1.8881 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
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 12 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL343466

>  <PubChem CID>
10336039

>  <Formula>
C20H22N4

>  <Molecular Weight>
318.424000

>  <IUPAC Name>
1-[(1-phenylpyrrol-3-yl)methyl]-4-pyridin-2-ylpiperazine

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CC2=CN(C=C2)C3=CC=CC=C3)C4=CC=CC=N4

>  <Isomeric SMILES>
C1CN(CCN1CC2=CN(C=C2)C3=CC=CC=C3)C4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C20H22N4/c1-2-6-19(7-3-1)24-11-9-18(17-24)16-22-12-14-23(15-13-22)20-8-4-5-10-21-20/h1-11,17H,12-16H2

>  <InChI Key>
GPHWCCPBYXWRBX-UHFFFAOYSA-N

