
 CHEMBL82976

 76 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL82976

>  <PubChem CID>
44461527

>  <Formula>
C27H38ClN3O6S

>  <Molecular Weight>
568.126000

>  <IUPAC Name>
N-[3-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]piperidin-1-yl]propyl]methanesulfonamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC(=CC(=C1)COC2=CC(=C(C=C2C(=O)CCC3CCN(CC3)CCCNS(=O)(=O)C)Cl)N)OC

>  <Isomeric SMILES>
COC1=CC(=CC(=C1)COC2=CC(=C(C=C2C(=O)CCC3CCN(CC3)CCCNS(=O)(=O)C)Cl)N)OC

>  <InChI Std. ID>
InChI=1S/C27H38ClN3O6S/c1-35-21-13-20(14-22(15-21)36-2)18-37-27-17-25(29)24(28)16-23(27)26(32)6-5-19-7-11-31(12-8-19)10-4-9-30-38(3,33)34/h13-17,19,30H,4-12,18,29H2,1-3H3

>  <InChI Key>
DXULJUSBHJWIDG-UHFFFAOYSA-N

