
 UPCMLD02ASTW001224

 78 84  0  0  0  0  0  0  0  0999 V2000
    2.8108    0.3952   -2.3856 C   0  0  0  0  0
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    6.1459    2.8374   -4.1032 C   0  0  0  0  0
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    8.0909   -0.1219    1.0029 C   0  0  0  0  0
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    9.6923   -0.7365    2.7485 C   0  0  0  0  0
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   10.4594    0.3834    0.7568 C   0  0  0  0  0
    9.1466    0.4410    0.2761 C   0  0  0  0  0
   11.9790   -0.2509    2.4437 F   0  0  0  0  0
    2.2182   -0.1204   -1.6265 H   0  0  0  0  0
    2.6710   -0.1059   -3.3479 H   0  0  0  0  0
    2.4609    1.4266   -2.4804 H   0  0  0  0  0
    5.5852   -2.2326   -1.8408 H   0  0  0  0  0
    6.9992   -2.0609   -3.6926 H   0  0  0  0  0
    9.4208   -0.8587   -2.3174 H   0  0  0  0  0
    9.2896   -2.2419   -3.4279 H   0  0  0  0  0
    6.5944   -3.7941    0.8533 H   0  0  0  0  0
   11.3668   -3.4824    0.1986 H   0  0  0  0  0
   11.2589   -2.5197   -1.2540 H   0  0  0  0  0
   12.4774   -4.8792   -1.2563 H   0  0  0  0  0
    9.5780   -5.6869   -2.1553 H   0  0  0  0  0
   11.0760   -6.7059   -2.2661 H   0  0  0  0  0
   12.1480   -4.9555   -3.7252 H   0  0  0  0  0
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   10.0513   -7.2277    2.4965 H   0  0  0  0  0
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    8.1356   -9.1546    2.8386 H   0  0  0  0  0
    6.6698   -8.7830    0.5976 H   0  0  0  0  0
    6.2831   -7.8068    2.0289 H   0  0  0  0  0
    7.9507   -6.9687   -0.3888 H   0  0  0  0  0
    6.6574   -6.0713    0.4467 H   0  0  0  0  0
    7.9351    0.5315   -3.6995 H   0  0  0  0  0
    6.2169    0.0940   -3.8515 H   0  0  0  0  0
    8.0470    4.3398   -1.7116 H   0  0  0  0  0
    8.2912    6.0121   -3.5271 H   0  0  0  0  0
    7.1900    5.6405   -5.7200 H   0  0  0  0  0
    5.7886    3.6259   -6.0778 H   0  0  0  0  0
    5.4623    2.0089   -4.2529 H   0  0  0  0  0
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M  END

>  <Chemical Name>
UPCMLD02ASTW001224

>  <PubChem CID>
3247252

>  <Formula>
C34H36FN3O4

>  <Molecular Weight>
569.677000

>  <IUPAC Name>


>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC(=O)C1(C2C(CC3=C2C=C(N3CC4CC4)C(=O)N5CCCC5)CN1C(=O)C6=CC=CC=C6)CC7=CC=C(C=C7)F

>  <Isomeric SMILES>
COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3CC4CC4)C(=O)N5CCCC5)CN1C(=O)C6=CC=CC=C6)CC7=CC=C(C=C7)F

>  <InChI Std. ID>
InChI=1S/C34H36FN3O4/c1-42-33(41)34(19-22-11-13-26(35)14-12-22)30-25(21-38(34)31(39)24-7-3-2-4-8-24)17-28-27(30)18-29(37(28)20-23-9-10-23)32(40)36-15-5-6-16-36/h2-4,7-8,11-14,18,23,25,30H,5-6,9-10,15-17,19-21H2,1H3/t25-,30+,34+/m0/s1

>  <InChI Key>
ABMYGSSLUNZNLN-SNLOLGNNSA-N

