
 CHEMBL185133

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL185133

>  <PubChem CID>
44392445

>  <Formula>
C26H36Cl2FN3O

>  <Molecular Weight>
496.492000

>  <IUPAC Name>
(5S)-1-(2-cyclopropylethyl)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-fluoropiperidin-1-yl)azetidin-1-yl]ethyl]piperidin-2-one

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1CCN2CC(CCC2=O)(CCN3CC(C3)N4CCC(CC4)F)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
C1CC1CCN2C[C@@](CCC2=O)(CCN3CC(C3)N4CCC(CC4)F)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C26H36Cl2FN3O/c27-23-4-3-20(15-24(23)28)26(9-5-25(33)32(18-26)11-6-19-1-2-19)10-14-30-16-22(17-30)31-12-7-21(29)8-13-31/h3-4,15,19,21-22H,1-2,5-14,16-18H2/t26-/m1/s1

>  <InChI Key>
GYMSXLBOYPSJRT-AREMUKBSSA-N

