
 CHEMBL35226

 54 57  0  0  0  0  0  0  0  0999 V2000
    7.4252   -5.4919   -3.9702 C   0  0  0  0  0
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    5.7829    2.4947   -4.5729 O   0  0  0  0  0
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    6.3035   -3.0133   -4.0786 H   0  0  0  0  0
    6.8060   -3.4880   -5.6930 H   0  0  0  0  0
    6.6124   -1.4159   -6.6686 H   0  0  0  0  0
    7.5522   -0.0578   -6.1152 H   0  0  0  0  0
    5.1730    0.3088   -5.6176 H   0  0  0  0  0
    5.0591   -1.2127   -4.7681 H   0  0  0  0  0
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    8.7994    9.2380   -4.5002 H   0  0  0  0  0
    7.2245    8.3277   -6.1414 H   0  0  0  0  0
    5.1149    2.7407   -7.0493 H   0  0  0  0  0
    3.7849    3.6850   -6.3569 H   0  0  0  0  0
    5.5460    4.3635   -8.7578 H   0  0  0  0  0
    3.7997    4.0977   -8.7374 H   0  0  0  0  0
    3.5225    6.1428   -7.2791 H   0  0  0  0  0
    4.2963    6.5193   -8.8201 H   0  0  0  0  0
    5.4778    7.5150   -6.9707 H   0  0  0  0  0
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  4  5  1  0  0  0
  5  6  1  0  0  0
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  5 34  1  0  0  0
  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL35226

>  <PubChem CID>
9881053

>  <Formula>
C21H29N3O

>  <Molecular Weight>
339.483000

>  <IUPAC Name>
5-[(1-propylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN1CCC(CC1)COC2=NC3=CC=CC=C3C4=C2CCCN4

>  <Isomeric SMILES>
CCCN1CCC(CC1)COC2=NC3=CC=CC=C3C4=C2CCCN4

>  <InChI Std. ID>
InChI=1S/C21H29N3O/c1-2-12-24-13-9-16(10-14-24)15-25-21-18-7-5-11-22-20(18)17-6-3-4-8-19(17)23-21/h3-4,6,8,16,22H,2,5,7,9-15H2,1H3

>  <InChI Key>
UTMXFLLOSBJGIE-UHFFFAOYSA-N

