
 CHEMBL571537

 86 91  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL571537

>  <PubChem CID>
25127072

>  <Formula>
C33H42N4O5S2

>  <Molecular Weight>
638.842000

>  <IUPAC Name>
N-[(4R)-4-[7-(4-cyclobutylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(CCCC(C1=CC(=C(C=C1)OC)OC)N2CC3=C(C2=O)C=CC=C3N4CCN(CC4)C5CCC5)S(=O)(=O)C6=CC=CS6

>  <Isomeric SMILES>
CN(CCC[C@H](C1=CC(=C(C=C1)OC)OC)N2CC3=C(C2=O)C=CC=C3N4CCN(CC4)C5CCC5)S(=O)(=O)C6=CC=CS6

>  <InChI Std. ID>
InChI=1S/C33H42N4O5S2/c1-34(44(39,40)32-13-7-21-43-32)16-6-12-28(24-14-15-30(41-2)31(22-24)42-3)37-23-27-26(33(37)38)10-5-11-29(27)36-19-17-35(18-20-36)25-8-4-9-25/h5,7,10-11,13-15,21-22,25,28H,4,6,8-9,12,16-20,23H2,1-3H3/t28-/m1/s1

>  <InChI Key>
OALICVBQMFNIMZ-MUUNZHRXSA-N

