
 CHEMBL3634821

 64 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3634821

>  <PubChem CID>
122196381

>  <Formula>
C29H28FN3O3

>  <Molecular Weight>
485.559000

>  <IUPAC Name>
3-[1-[3-[4-(1,3-benzoxazol-2-ylmethyl)phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCOC4=CC=C(C=C4)CC5=NC6=CC=CC=C6O5

>  <Isomeric SMILES>
C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCOC4=CC=C(C=C4)CC5=NC6=CC=CC=C6O5

>  <InChI Std. ID>
InChI=1S/C29H28FN3O3/c30-22-8-11-24-27(19-22)36-32-29(24)21-12-15-33(16-13-21)14-3-17-34-23-9-6-20(7-10-23)18-28-31-25-4-1-2-5-26(25)35-28/h1-2,4-11,19,21H,3,12-18H2

>  <InChI Key>
DRXDGURYDDKZLG-UHFFFAOYSA-N

