
 CHEMBL185572

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL185572

>  <PubChem CID>
10929285

>  <Formula>
C27H39Cl2N3O2

>  <Molecular Weight>
508.528000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)CN2CC(CCC2=O)(CCN3CC(C3)N4CCOCC4)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
C1CCC(CC1)CN2C[C@@](CCC2=O)(CCN3CC(C3)N4CCOCC4)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C27H39Cl2N3O2/c28-24-7-6-22(16-25(24)29)27(10-11-30-18-23(19-30)31-12-14-34-15-13-31)9-8-26(33)32(20-27)17-21-4-2-1-3-5-21/h6-7,16,21,23H,1-5,8-15,17-20H2/t27-/m1/s1

>  <InChI Key>
GUIGWNGIQKNZBN-HHHXNRCGSA-N

