
 CHEMBL1258382

 75 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1258382

>  <PubChem CID>
49782841

>  <Formula>
C33H37N3OS

>  <Molecular Weight>
523.739000

>  <IUPAC Name>


>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)N4CCN(CC4)CCCCNC(=O)C5=CC6=CC=CC=C6S5

>  <Isomeric SMILES>
C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)N4CCN(CC4)CCCCNC(=O)C5=CC6=CC=CC=C6S5

>  <InChI Std. ID>
InChI=1S/C33H37N3OS/c37-33(32-24-29-5-1-2-6-31(29)38-32)34-17-3-4-18-35-19-21-36(22-20-35)30-23-27-12-11-25-7-9-26(10-8-25)13-15-28(30)16-14-27/h1-2,5-10,14,16,23-24H,3-4,11-13,15,17-22H2,(H,34,37)

>  <InChI Key>
HIGILHVUMICSAW-UHFFFAOYSA-N

