53382716
  -OEChem-04162400552D

 73 75  0     1  0  0  0  0  0999 V2000
   12.5738    5.2908    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6742   -4.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7765   -1.7619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8621   -1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0982    2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4495   -2.2102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2133   -3.3832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9584    0.8008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8302    2.2975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1225   -2.6585    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.0000   -4.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9622    1.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8340    3.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7020    3.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9738    4.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8441    5.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
 13  2  1  1  0  0  0
  2 26  1  0  0  0  0
  3 18  1  0  0  0  0
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 10 29  1  0  0  0  0
 10 32  1  0  0  0  0
 10 65  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 16 45  1  0  0  0  0
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 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
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 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
 22 54  1  0  0  0  0
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 23 27  1  0  0  0  0
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 25 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 64  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
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 34 36  1  0  0  0  0
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 35 37  2  0  0  0  0
 35 71  1  0  0  0  0
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 37 72  1  0  0  0  0
 38 73  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53382716

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
804

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uQAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQAAAADTzhmA4zxoPABACIAiVSUAKCCAAlIgAIiAFObMiOJjbEtZ+HOWju9hPY6ae8yCCOAEAAQAAIAAAAgACAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(3-fluorophenyl)-3-[(4S,7S,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-(3-fluorophenyl)-3-[(4S,7S,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(3-fluorophenyl)-3-[(4<I>S</I>,7<I>S</I>,8<I>S</I>)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

> <PUBCHEM_IUPAC_NAME>
1-(3-fluorophenyl)-3-[(4S,7S,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(3-fluorophenyl)-3-[(4S,7S,8S)-8-methoxy-5-(2-methoxyethanoyl)-4,7,10-trimethyl-11-oxidanylidene-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(3-fluorophenyl)-3-[(4S,7S,8S)-11-keto-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H35FN4O6/c1-17-13-32(25(33)16-36-4)18(2)15-38-23-10-9-21(12-22(23)26(34)31(3)14-24(17)37-5)30-27(35)29-20-8-6-7-19(28)11-20/h6-12,17-18,24H,13-16H2,1-5H3,(H2,29,30,35)/t17-,18-,24+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZQFWKBSGTDYKBN-LLJLJFOGSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
530.25406301

> <PUBCHEM_MOLECULAR_FORMULA>
C27H35FN4O6

> <PUBCHEM_MOLECULAR_WEIGHT>
530.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CN(C(COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(CC1OC)C)C)C(=O)COC

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)COC

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
530.25406301

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  17  6
15  19  5
13  2  5
23  25  8
23  27  8
25  28  8
27  29  8
28  30  8
29  30  8
33  34  8
33  35  8
34  36  8
35  37  8
36  38  8
37  38  8

$$$$