
 CHEMBL116108

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL116108

>  <PubChem CID>
11050177

>  <Formula>
C31H31N5O5S

>  <Molecular Weight>
585.679000

>  <IUPAC Name>
4-tert-butyl-N-[6-[2-[5-(furan-2-yl)pyrimidin-2-yl]oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1=CC=C(C=C1)C2=C(N=CN=C2OCCOC3=NC=C(C=N3)C4=CC=CO4)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2=C(N=CN=C2OCCOC3=NC=C(C=N3)C4=CC=CO4)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C31H31N5O5S/c1-21-7-9-22(10-8-21)27-28(36-42(37,38)25-13-11-24(12-14-25)31(2,3)4)34-20-35-29(27)40-16-17-41-30-32-18-23(19-33-30)26-6-5-15-39-26/h5-15,18-20H,16-17H2,1-4H3,(H,34,35,36)

>  <InChI Key>
ABEGYQBNTPEXRM-UHFFFAOYSA-N

