
 CHEMBL70095

 82 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL70095

>  <PubChem CID>
10793720

>  <Formula>
C33H38N4O7

>  <Molecular Weight>
602.688000

>  <IUPAC Name>
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide

>  <XlogP>
3.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)OC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC(=C(C=C5)OC)OC)O

>  <Isomeric SMILES>
CC(C)OC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC(=C(C=C5)OC)OC)O

>  <InChI Std. ID>
InChI=1S/C33H38N4O7/c1-21(2)44-28-8-6-5-7-27(28)36-15-13-35(14-16-36)20-24(38)19-34-31(39)22-9-11-25-26(17-22)33(41)37(32(25)40)23-10-12-29(42-3)30(18-23)43-4/h5-12,17-18,21,24,38H,13-16,19-20H2,1-4H3,(H,34,39)

>  <InChI Key>
AVHKKQNVOUECLU-UHFFFAOYSA-N

