
 CHEMBL179891

 77 79  0  0  0  0  0  0  0  0999 V2000
    6.0276   11.0702    5.9963 C   0  0  0  0  0
    5.5084    9.6266    5.9808 C   0  0  0  0  0
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   11.2235   14.2711   -2.6440 H   0  0  0  0  0
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    6.9248    9.3180   -4.3650 H   0  0  0  0  0
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    8.1551    8.3606   -6.0335 H   0  0  0  0  0
    6.7335    6.4437   -5.1387 H   0  0  0  0  0
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    8.0973    4.5410   -5.9915 H   0  0  0  0  0
    9.5518    5.5156   -5.8650 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL179891

>  <PubChem CID>
44391043

>  <Formula>
C29H41N3O4

>  <Molecular Weight>
495.664000

>  <IUPAC Name>
2-methyl-N-[(2S)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-propan-2-ylphenoxy)propanamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)OC(C)(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCN3CCOCC3

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)OC(C)(C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCCN3CCOCC3

>  <InChI Std. ID>
InChI=1S/C29H41N3O4/c1-22(2)24-11-13-25(14-12-24)36-29(3,4)28(34)31-26(21-23-9-6-5-7-10-23)27(33)30-15-8-16-32-17-19-35-20-18-32/h5-7,9-14,22,26H,8,15-21H2,1-4H3,(H,30,33)(H,31,34)/t26-/m0/s1

>  <InChI Key>
AVIXBFZEMMRRMZ-SANMLTNESA-N

