
 CHEMBL349486

 67 71  0  0  0  0  0  0  0  0999 V2000
   -3.8595    3.3527    7.5322 C   0  0  0  0  0
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    1.7763    2.5971    4.6818 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL349486

>  <PubChem CID>
44379101

>  <Formula>
C27H30ClN3O5S

>  <Molecular Weight>
544.063000

>  <IUPAC Name>
1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-[(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]piperidine-4-carboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC2=C(CCCC2(CNC(=O)C3CCN(CC3)C(=O)CN4C5=C(C=CC(=C5)Cl)SC4=O)O)C=C1

>  <Isomeric SMILES>
COC1=CC2=C(CCCC2(CNC(=O)C3CCN(CC3)C(=O)CN4C5=C(C=CC(=C5)Cl)SC4=O)O)C=C1

>  <InChI Std. ID>
InChI=1S/C27H30ClN3O5S/c1-36-20-6-4-17-3-2-10-27(35,21(17)14-20)16-29-25(33)18-8-11-30(12-9-18)24(32)15-31-22-13-19(28)5-7-23(22)37-26(31)34/h4-7,13-14,18,35H,2-3,8-12,15-16H2,1H3,(H,29,33)

>  <InChI Key>
AWRSRAVGHHYUAZ-UHFFFAOYSA-N

