
 CHEMBL43405

 58 59  0  0  0  0  0  0  0  0999 V2000
    7.7410    2.6674    2.2531 C   0  0  0  0  0
    7.0363    1.3360    1.9792 C   0  0  0  0  0
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    0.2614   14.7651    7.1905 F   0  0  0  0  0
    3.9286    1.7275   -0.8936 O   0  0  0  0  0
    7.9173    3.2202    1.3236 H   0  0  0  0  0
    8.7151    2.5007    2.7268 H   0  0  0  0  0
    7.1487    3.3058    2.9199 H   0  0  0  0  0
    7.6714    0.7503    1.3038 H   0  0  0  0  0
    6.1585    1.0848    3.9626 H   0  0  0  0  0
    7.8171    0.4827    3.8201 H   0  0  0  0  0
    6.4907   -0.4430    3.1252 H   0  0  0  0  0
    5.9228    2.2363    0.5227 H   0  0  0  0  0
    4.8394   -0.2549    1.6698 H   0  0  0  0  0
    5.6879   -0.0775    0.1211 H   0  0  0  0  0
    3.3332   -0.1412   -0.3117 H   0  0  0  0  0
    2.5754    0.6142    1.9791 H   0  0  0  0  0
    1.6687    1.3224    0.6000 H   0  0  0  0  0
    1.1333    1.4508    3.2690 H   0  0  0  0  0
   -0.3755    2.7026    4.7162 H   0  0  0  0  0
    1.3221    6.4030    3.3153 H   0  0  0  0  0
    2.8376    5.1478    1.8507 H   0  0  0  0  0
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   -0.1701   11.2143    4.4654 H   0  0  0  0  0
    3.9611    2.5928   -0.4402 H   0  0  0  0  0
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  1 31  1  0  0  0
  2  4  1  0  0  0
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  2 32  1  0  0  0
  3 33  1  0  0  0
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  3 35  1  0  0  0
  4  5  1  0  0  0
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  6  7  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL43405

>  <PubChem CID>
135817

>  <Formula>
C22H30FNO4

>  <Molecular Weight>
391.483000

>  <IUPAC Name>
1-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
3.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)OCCOCCC2=CC=C(C=C2)F)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=C(C=C1)OCCOCCC2=CC=C(C=C2)F)O

>  <InChI Std. ID>
InChI=1S/C22H30FNO4/c1-17(2)24-15-20(25)16-28-22-9-7-21(8-10-22)27-14-13-26-12-11-18-3-5-19(23)6-4-18/h3-10,17,20,24-25H,11-16H2,1-2H3

>  <InChI Key>
CYCXZGUVPDRYLG-UHFFFAOYSA-N

