
 CHEMBL568388

 88 93  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL568388

>  <PubChem CID>
45486918

>  <Formula>
C36H39ClN4O6S2

>  <Molecular Weight>
723.300000

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

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC(C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C(CCCNS(=O)(=O)C5=CC=C(S5)Cl)C6=CC(=C(C=C6)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)C5=CC=C(S5)Cl)C6=CC(=C(C=C6)OC)OC

>  <InChI Std. ID>
InChI=1S/C36H39ClN4O6S2/c1-24(25-9-5-4-6-10-25)39-19-21-40(22-20-39)29-12-7-11-27-34(29)36(43)41(35(27)42)28(26-14-15-30(46-2)31(23-26)47-3)13-8-18-38-49(44,45)33-17-16-32(37)48-33/h4-7,9-12,14-17,23-24,28,38H,8,13,18-22H2,1-3H3/t24-,28-/m1/s1

>  <InChI Key>
IDDBPMNXNXZKPM-UFHPHHKVSA-N

