
 CHEMBL569923

 84 88  0  0  0  0  0  0  0  0999 V2000
    6.8345    7.9145    4.4359 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL569923

>  <PubChem CID>
44597069

>  <Formula>
C31H40N6O6S

>  <Molecular Weight>
624.757000

>  <IUPAC Name>
N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[4-(4-ethylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCN1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)C(CCCNS(=O)(=O)C4=CN(C(=N4)C)C)C5=CC(=C(C=C5)OC)OC

>  <Isomeric SMILES>
CCN1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)[C@H](CCCNS(=O)(=O)C4=CN(C(=N4)C)C)C5=CC(=C(C=C5)OC)OC

>  <InChI Std. ID>
InChI=1S/C31H40N6O6S/c1-6-35-15-17-36(18-16-35)25-10-7-9-23-29(25)31(39)37(30(23)38)24(22-12-13-26(42-4)27(19-22)43-5)11-8-14-32-44(40,41)28-20-34(3)21(2)33-28/h7,9-10,12-13,19-20,24,32H,6,8,11,14-18H2,1-5H3/t24-/m1/s1

>  <InChI Key>
OIWZZNWVSQIFAZ-XMMPIXPASA-N

