
 CHEMBL360134

 74 79  0  0  0  0  0  0  0  0999 V2000
    1.4422    0.5043    0.9036 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL360134

>  <PubChem CID>
44392318

>  <Formula>
C28H39Cl2N3O2

>  <Molecular Weight>
520.539000

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

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C1)(C2CC2)N3CC(CCC3=O)(CCN4CC(C4)N5CCOCC5)C6=CC(=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
C1CCC(C1)(C2CC2)N3C[C@@](CCC3=O)(CCN4CC(C4)N5CCOCC5)C6=CC(=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C28H39Cl2N3O2/c29-24-6-5-22(17-25(24)30)27(11-12-31-18-23(19-31)32-13-15-35-16-14-32)10-7-26(34)33(20-27)28(21-3-4-21)8-1-2-9-28/h5-6,17,21,23H,1-4,7-16,18-20H2/t27-/m1/s1

>  <InChI Key>
GCOOJVFHVKWCPG-HHHXNRCGSA-N

