
 CHEMBL24293

 55 58  0  0  0  0  0  0  0  0999 V2000
    3.2257   -2.3288   -8.1009 C   0  0  0  0  0
    4.3689   -3.0136   -8.2433 C   0  0  0  0  0
    5.2165   -3.5011   -7.1047 C   0  0  0  0  0
    6.5903   -2.9908   -7.1792 N   0  0  0  0  0
    7.4428   -3.6848   -6.1950 C   0  0  0  0  0
    8.8742   -3.1052   -6.1298 C   0  0  0  0  0
    8.9428   -1.6525   -5.8381 N   0  0  0  0  0
    8.0906   -0.9857   -6.8579 C   0  0  0  0  0
    6.6461   -1.5294   -6.9721 C   0  0  0  0  0
    8.5291   -1.3074   -4.4418 C   0  0  0  0  0
    9.2310   -2.1544   -3.3741 C   0  0  0  0  0
   10.6302   -2.1913   -3.2682 C   0  0  0  0  0
   11.2489   -3.0179   -2.3262 C   0  0  0  0  0
   10.4792   -3.8110   -1.4773 C   0  0  0  0  0
    9.0905   -3.7740   -1.5593 C   0  0  0  0  0
    8.4685   -2.9496   -2.4986 C   0  0  0  0  0
    8.6663    0.1892   -4.1160 C   0  0  0  0  0
    9.6419    1.0019   -4.7115 C   0  0  0  0  0
    9.6522    2.3865   -4.5002 C   0  0  0  0  0
    8.7151    3.0074   -3.6577 C   0  0  0  0  0
    7.8085    2.1702   -2.9837 C   0  0  0  0  0
    7.7780    0.7882   -3.2115 C   0  0  0  0  0
    8.6486    4.4778   -3.5285 C   0  0  0  0  0
    9.7852    5.2901   -3.5375 C   0  0  0  0  0
    9.7788    6.6470   -3.4813 N   0  0  0  0  0
    8.5740    7.2444   -3.4054 C   0  0  0  0  0
    7.3797    6.5496   -3.3752 C   0  0  0  0  0
    7.4229    5.1568   -3.4395 C   0  0  0  0  0
    2.6606   -2.0071   -8.9705 H   0  0  0  0  0
    2.8342   -2.0690   -7.1229 H   0  0  0  0  0
    4.7245   -3.2506   -9.2443 H   0  0  0  0  0
    5.2330   -4.5959   -7.1760 H   0  0  0  0  0
    4.7585   -3.2551   -6.1386 H   0  0  0  0  0
    7.5212   -4.7425   -6.4737 H   0  0  0  0  0
    6.9872   -3.6502   -5.1973 H   0  0  0  0  0
    9.4741   -3.6895   -5.4243 H   0  0  0  0  0
    9.3612   -3.2743   -7.1003 H   0  0  0  0  0
    8.0482    0.0974   -6.7057 H   0  0  0  0  0
    8.5846   -1.1077   -7.8323 H   0  0  0  0  0
    6.0786   -1.2432   -6.0772 H   0  0  0  0  0
    6.1761   -1.0213   -7.8236 H   0  0  0  0  0
    7.4567   -1.5269   -4.3582 H   0  0  0  0  0
   11.2422   -1.5931   -3.9381 H   0  0  0  0  0
   12.3347   -3.0474   -2.2636 H   0  0  0  0  0
   10.9639   -4.4589   -0.7522 H   0  0  0  0  0
    8.4906   -4.3916   -0.8973 H   0  0  0  0  0
    7.3821   -2.9428   -2.5524 H   0  0  0  0  0
   10.3672    0.5676   -5.3971 H   0  0  0  0  0
   10.3821    2.9771   -5.0497 H   0  0  0  0  0
    7.0929    2.5896   -2.2786 H   0  0  0  0  0
    7.0380    0.1865   -2.6895 H   0  0  0  0  0
   10.7826    4.8608   -3.5919 H   0  0  0  0  0
    8.5921    8.3287   -3.3714 H   0  0  0  0  0
    6.4325    7.0758   -3.3159 H   0  0  0  0  0
    6.4843    4.6085   -3.4457 H   0  0  0  0  0
  1  2  2  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 17  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
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 11 16  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 13 14  2  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
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 15 16  2  0  0  0
 15 46  1  0  0  0
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 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL24293

>  <PubChem CID>
44275536

>  <Formula>
C25H27N3

>  <Molecular Weight>
369.512000

>  <IUPAC Name>
1-[phenyl-(4-pyridin-3-ylphenyl)methyl]-4-prop-2-enylpiperazine

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C=CCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CN=CC=C4

>  <Isomeric SMILES>
C=CCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CN=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H27N3/c1-2-15-27-16-18-28(19-17-27)25(22-7-4-3-5-8-22)23-12-10-21(11-13-23)24-9-6-14-26-20-24/h2-14,20,25H,1,15-19H2

>  <InChI Key>
AFTKXNYVOSKYEX-UHFFFAOYSA-N

