
 CHEMBL157840

 60 63  0  0  0  0  0  0  0  0999 V2000
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    1.3836   -4.7045   -6.0507 H   0  0  0  0  0
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    0.5930   -5.4482   -4.6532 H   0  0  0  0  0
    4.1294   -3.3516   -3.3496 H   0  0  0  0  0
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    9.8484   -0.3672   -1.9647 H   0  0  0  0  0
    9.5889   -1.9326   -2.6906 H   0  0  0  0  0
    7.6556    0.4320   -2.6754 H   0  0  0  0  0
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   10.1663   -5.4503    9.6728 H   0  0  0  0  0
    7.7161   -3.8838    7.7046 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL157840

>  <PubChem CID>
11122723

>  <Formula>
C24H29N3O4

>  <Molecular Weight>
423.513000

>  <IUPAC Name>
1-(2-hydroxyphenyl)-6-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]hexan-1-one

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC2=C(C=C1)ON=C2N3CCN(CC3)CCCCCC(=O)C4=CC=CC=C4O

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)ON=C2N3CCN(CC3)CCCCCC(=O)C4=CC=CC=C4O

>  <InChI Std. ID>
InChI=1S/C24H29N3O4/c1-30-18-10-11-23-20(17-18)24(25-31-23)27-15-13-26(14-16-27)12-6-2-3-8-21(28)19-7-4-5-9-22(19)29/h4-5,7,9-11,17,29H,2-3,6,8,12-16H2,1H3

>  <InChI Key>
BLJLFJSNEJZSQQ-UHFFFAOYSA-N

