
 CHEMBL3742207

 55 58  0  0  0  0  0  0  0  0999 V2000
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    5.5772    1.5152    5.6164 N   0  0  0  0  0
    6.3555    0.7889    6.5145 O   0  0  0  0  0
    5.5530    0.5230    7.5897 C   0  0  0  0  0
    4.3390    1.0092    7.4570 N   0  0  0  0  0
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    1.8122   -2.6980    0.4789 H   0  0  0  0  0
    4.0446   -1.2992    0.1912 H   0  0  0  0  0
    4.4278   -0.7586   -1.4530 H   0  0  0  0  0
    3.4156    1.1051   -0.2135 H   0  0  0  0  0
    2.4738    0.6445   -1.5985 H   0  0  0  0  0
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  3 23  1  0  0  0
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  5 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3742207

>  <PubChem CID>
127038079

>  <Formula>
C22H26ClN5O

>  <Molecular Weight>
411.934000

>  <IUPAC Name>
N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,2,4-oxadiazol-3-amine

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCCCNC2=NOC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCCNC2=NOC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C22H26ClN5O/c23-19-8-10-20(11-9-19)28-16-14-27(15-17-28)13-5-4-12-24-22-25-21(29-26-22)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-17H2,(H,24,26)

>  <InChI Key>
AEGDITSWVZEWFA-UHFFFAOYSA-N

