
 CHEMBL3785343

 61 65  0  0  0  0  0  0  0  0999 V2000
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    4.7281    1.0790   -5.7374 H   0  0  0  0  0
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    3.9025   -0.7585   -2.6368 H   0  0  0  0  0
    4.1596    0.9751   -2.6820 H   0  0  0  0  0
    6.2864    1.8626   -3.4027 H   0  0  0  0  0
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  3 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3785343

>  <PubChem CID>
127030368

>  <Formula>
C25H28N4O4

>  <Molecular Weight>
448.523000

>  <IUPAC Name>
[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1(COC1)CN(C)CC2=CC=C(C=C2)OC3CN(C3)C(=O)C4=NN=C(O4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC1(COC1)CN(C)CC2=CC=C(C=C2)OC3CN(C3)C(=O)C4=NN=C(O4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C25H28N4O4/c1-25(16-31-17-25)15-28(2)12-18-8-10-20(11-9-18)32-21-13-29(14-21)24(30)23-27-26-22(33-23)19-6-4-3-5-7-19/h3-11,21H,12-17H2,1-2H3

>  <InChI Key>
GXBSBFLWQCTABZ-UHFFFAOYSA-N

