
 CHEMBL241438

 71 74  0  0  0  0  0  0  0  0999 V2000
    5.7444   -8.9721   -0.0895 C   0  0  0  0  0
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    6.2926   -3.4731    1.5519 H   0  0  0  0  0
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    9.9277   -2.1029   -1.7771 H   0  0  0  0  0
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   10.0072   -4.3742   -3.8411 H   0  0  0  0  0
   12.1289   -4.2219   -2.5283 H   0  0  0  0  0
   12.2075   -2.4806   -2.8506 H   0  0  0  0  0
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   18.9398   -5.5263  -15.5967 H   0  0  0  0  0
   17.7696   -3.4350  -14.9513 H   0  0  0  0  0
   16.5234   -3.3173  -12.8157 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL241438

>  <PubChem CID>
44436613

>  <Formula>
C31H35N3O2

>  <Molecular Weight>
481.640000

>  <IUPAC Name>
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4-(2-phenylethynyl)benzamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCCNC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCCNC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C31H35N3O2/c1-36-30-13-7-6-12-29(30)34-24-22-33(23-25-34)21-9-3-8-20-32-31(35)28-18-16-27(17-19-28)15-14-26-10-4-2-5-11-26/h2,4-7,10-13,16-19H,3,8-9,20-25H2,1H3,(H,32,35)

>  <InChI Key>
FOGLBIQQERQNBV-UHFFFAOYSA-N

