
 CHEMBL569689

 84 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL569689

>  <PubChem CID>
45486917

>  <Formula>
C33H40N4O6S

>  <Molecular Weight>
620.765000

>  <IUPAC Name>
N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]methanesulfonamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C(CCCNS(=O)(=O)C)C5=CC(=C(C=C5)OC)OC

>  <Isomeric SMILES>
C[C@H](C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)[C@H](CCCNS(=O)(=O)C)C5=CC(=C(C=C5)OC)OC

>  <InChI Std. ID>
InChI=1S/C33H40N4O6S/c1-23(24-10-6-5-7-11-24)35-18-20-36(21-19-35)28-13-8-12-26-31(28)33(39)37(32(26)38)27(14-9-17-34-44(4,40)41)25-15-16-29(42-2)30(22-25)43-3/h5-8,10-13,15-16,22-23,27,34H,9,14,17-21H2,1-4H3/t23-,27-/m1/s1

>  <InChI Key>
CTJVAFHXNBYPPI-YIXXDRMTSA-N

