
 MLS000552833

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M  END

>  <Chemical Name>
MLS000552833

>  <PubChem CID>
3190761

>  <Formula>
C34H38N4O5

>  <Molecular Weight>
582.701000

>  <IUPAC Name>
2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)NC1=CC=C(C=C1)N(C(C2=CC(=C(C=C2)OC)OC)C(=O)NC3CCCCC3)C(=O)CC4=CNC5=CC=CC=C54

>  <Isomeric SMILES>
CC(=O)NC1=CC=C(C=C1)N(C(C2=CC(=C(C=C2)OC)OC)C(=O)NC3CCCCC3)C(=O)CC4=CNC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C34H38N4O5/c1-22(39)36-26-14-16-27(17-15-26)38(32(40)20-24-21-35-29-12-8-7-11-28(24)29)33(34(41)37-25-9-5-4-6-10-25)23-13-18-30(42-2)31(19-23)43-3/h7-8,11-19,21,25,33,35H,4-6,9-10,20H2,1-3H3,(H,36,39)(H,37,41)

>  <InChI Key>
CLVMGLHYNADTTO-UHFFFAOYSA-N

