
 CHEMBL358600

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL358600

>  <PubChem CID>
11135103

>  <Formula>
C27H32Cl2FN3O2

>  <Molecular Weight>
520.470000

>  <IUPAC Name>
5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(CN(C1=O)CC2=CC=C(C=C2)F)(CCN3CC(C3)N4CCOCC4)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
C1CC(CN(C1=O)CC2=CC=C(C=C2)F)(CCN3CC(C3)N4CCOCC4)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C27H32Cl2FN3O2/c28-24-6-3-21(15-25(24)29)27(9-10-31-17-23(18-31)32-11-13-35-14-12-32)8-7-26(34)33(19-27)16-20-1-4-22(30)5-2-20/h1-6,15,23H,7-14,16-19H2

>  <InChI Key>
AALWUTFIDZBLOW-UHFFFAOYSA-N

