
 CHEMBL304591

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL304591

>  <PubChem CID>
10578715

>  <Formula>
C32H36N4O5

>  <Molecular Weight>
556.663000

>  <IUPAC Name>
2-(4-methoxyphenyl)-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C32H36N4O5/c1-22(2)41-29-8-5-4-7-28(29)35-19-17-34(18-20-35)16-6-15-33-30(37)23-9-14-26-27(21-23)32(39)36(31(26)38)24-10-12-25(40-3)13-11-24/h4-5,7-14,21-22H,6,15-20H2,1-3H3,(H,33,37)

>  <InChI Key>
MVYCXEXQTMBCNB-UHFFFAOYSA-N

