
 CHEMBL3586029

 73 78  0  0  0  0  0  0  0  0999 V2000
    2.2963    1.8035   -2.4230 C   0  0  0  0  0
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    6.1333   -0.1766   -1.7568 C   0  0  0  0  0
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    2.5952    1.4413   -3.4114 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3586029

>  <PubChem CID>
122180023

>  <Formula>
C30H34N4O5

>  <Molecular Weight>
530.625000

>  <IUPAC Name>
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,3-dihydro-1-benzofuran-6-ylmethylamino)-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1CN(CC(O1)C)C2=CN=C(C(=C2)C(=O)NCC3COC4=CC=CC=C4O3)NCC5=CC6=C(CCO6)C=C5

>  <Isomeric SMILES>
C[C@@H]1CN(C[C@@H](O1)C)C2=CN=C(C(=C2)C(=O)NC[C@H]3COC4=CC=CC=C4O3)NCC5=CC6=C(CCO6)C=C5

>  <InChI Std. ID>
InChI=1S/C30H34N4O5/c1-19-16-34(17-20(2)38-19)23-12-25(30(35)33-15-24-18-37-26-5-3-4-6-27(26)39-24)29(32-14-23)31-13-21-7-8-22-9-10-36-28(22)11-21/h3-8,11-12,14,19-20,24H,9-10,13,15-18H2,1-2H3,(H,31,32)(H,33,35)/t19-,20+,24-/m0/s1

>  <InChI Key>
OEUQIBVXXPHYPJ-ROKPMTFOSA-N

