
 CHEMBL399857

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M  END

>  <Chemical Name>
CHEMBL399857

>  <PubChem CID>
44444675

>  <Formula>
C37H50N4O3S

>  <Molecular Weight>
630.892000

>  <IUPAC Name>
1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[3-methyl-4-(morpholine-4-carbonyl)piperidin-1-yl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methylpropan-1-one

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN(CCC1C(=O)N2CCOCC2)CCC3=C(NC4=C3C=C(S4)C(C)(C)C(=O)N5C6CCC5CC6)C7=CC(=CC(=C7)C)C

>  <Isomeric SMILES>
CC1CN(CCC1C(=O)N2CCOCC2)CCC3=C(NC4=C3C=C(S4)C(C)(C)C(=O)N5C6CCC5CC6)C7=CC(=CC(=C7)C)C

>  <InChI Std. ID>
InChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(11-13-39-12-10-29(25(3)22-39)35(42)40-14-16-44-17-15-40)31-21-32(45-34(31)38-33)37(4,5)36(43)41-27-6-7-28(41)9-8-27/h18-21,25,27-29,38H,6-17,22H2,1-5H3

>  <InChI Key>
ATYOFXVORANGGC-UHFFFAOYSA-N

