
 CHEMBL455406

 70 73  0  0  0  0  0  0  0  0999 V2000
    2.5809    2.9925   -3.0689 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL455406

>  <PubChem CID>
25218733

>  <Formula>
C30H32N4O4

>  <Molecular Weight>
512.610000

>  <IUPAC Name>
6-[benzyl(ethyl)amino]-2-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyridine-3-carboxamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCN(CC1=CC=CC=C1)C2=NC(=C(C=C2)C(=O)NCCOC3=CC=CC=C3)C4=C(N=C(C=C4)OC)OC

>  <Isomeric SMILES>
CCN(CC1=CC=CC=C1)C2=NC(=C(C=C2)C(=O)NCCOC3=CC=CC=C3)C4=C(N=C(C=C4)OC)OC

>  <InChI Std. ID>
InChI=1S/C30H32N4O4/c1-4-34(21-22-11-7-5-8-12-22)26-17-15-24(29(35)31-19-20-38-23-13-9-6-10-14-23)28(32-26)25-16-18-27(36-2)33-30(25)37-3/h5-18H,4,19-21H2,1-3H3,(H,31,35)

>  <InChI Key>
DPISCHMOAFKKEG-UHFFFAOYSA-N

