
 CHEMBL441115

 80 83  0  0  0  0  0  0  0  0999 V2000
    1.9734    7.0463    0.6514 C   0  0  0  0  0
    3.2754    6.2431    0.6788 C   0  0  0  0  0
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   12.8559    3.0730    0.7613 N   0  0  0  0  0
   14.2315    3.2473    1.2801 C   0  0  0  0  0
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    2.0296    7.8632   -0.0771 H   0  0  0  0  0
    1.7692    7.4890    1.6321 H   0  0  0  0  0
    1.1185    6.4174    0.3787 H   0  0  0  0  0
    4.0882    6.9286    0.9559 H   0  0  0  0  0
    2.3723    4.4998    1.6549 H   0  0  0  0  0
    3.1344    5.6440    2.7602 H   0  0  0  0  0
    4.1398    4.5700    1.7758 H   0  0  0  0  0
    4.7680    7.4220   -1.2597 H   0  0  0  0  0
    5.2452    6.6390   -3.5291 H   0  0  0  0  0
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    7.0482    6.1172   -7.7107 H   0  0  0  0  0
    8.8245    3.6039   -4.6689 H   0  0  0  0  0
    6.6316    3.2604   -3.6799 H   0  0  0  0  0
    9.3044    5.6607   -7.7847 H   0  0  0  0  0
   10.4154    5.1023   -4.5929 H   0  0  0  0  0
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   13.3452    3.2389   -6.5778 H   0  0  0  0  0
   11.8208    2.4072   -6.3764 H   0  0  0  0  0
   11.4856    0.6595   -4.6616 H   0  0  0  0  0
   12.5708   -1.1564   -3.3890 H   0  0  0  0  0
   15.0307   -1.1557   -3.0700 H   0  0  0  0  0
   16.4062    0.6748   -4.0266 H   0  0  0  0  0
   15.3343    2.5072   -5.2946 H   0  0  0  0  0
   13.9111    6.4117   -3.3483 H   0  0  0  0  0
   11.3875    5.1308   -2.4784 H   0  0  0  0  0
   12.3109    6.4010   -1.6641 H   0  0  0  0  0
   14.1301    4.7222   -1.1713 H   0  0  0  0  0
   13.1442    3.4523   -1.8866 H   0  0  0  0  0
   11.3000    4.0419   -0.2483 H   0  0  0  0  0
   12.3994    5.1507    0.5619 H   0  0  0  0  0
   14.9278    3.5321    0.4855 H   0  0  0  0  0
   14.5704    2.2623    1.6283 H   0  0  0  0  0
   15.3609    4.2258    2.8488 H   0  0  0  0  0
   14.1112    5.2585    2.1499 H   0  0  0  0  0
   11.5084    3.4208    3.9288 H   0  0  0  0  0
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   12.2413    1.7719    2.2777 H   0  0  0  0  0
   10.9275    2.7089    1.5942 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL441115

>  <PubChem CID>
44390553

>  <Formula>
C32H40N4O4

>  <Molecular Weight>
544.696000

>  <IUPAC Name>
(2S)-N-(3-morpholin-4-ylpropyl)-3-phenyl-2-[[4-(4-propan-2-ylphenoxy)phenyl]carbamoylamino]propanamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)NCCCN4CCOCC4

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCCCN4CCOCC4

>  <InChI Std. ID>
InChI=1S/C32H40N4O4/c1-24(2)26-9-13-28(14-10-26)40-29-15-11-27(12-16-29)34-32(38)35-30(23-25-7-4-3-5-8-25)31(37)33-17-6-18-36-19-21-39-22-20-36/h3-5,7-16,24,30H,6,17-23H2,1-2H3,(H,33,37)(H2,34,35,38)/t30-/m0/s1

>  <InChI Key>
AKCNXMUAPPMEEU-PMERELPUSA-N

