146152965
  -OEChem-06142410232D

 55 59  0     1  0  0  0  0  0999 V2000
    6.8187   -7.5668    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2026   -3.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.4468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0116   -2.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6808   -3.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -2.4192    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2320   -2.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -2.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1808   -4.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    4.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9997   -5.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5820   -5.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4064   -6.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9888   -6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    5.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4010   -6.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    6.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0716   -3.0181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494   -2.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244   -3.0298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554   -0.9455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -1.6358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101   -1.6358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087   -0.9455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540    0.5294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554   -0.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087   -0.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101    0.5294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554    2.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540    1.3642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    2.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    3.5294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    5.0294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894    4.3391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    4.3642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    5.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3831   -5.7794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9464   -4.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6054   -6.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6531   -7.4287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    7.5668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  2  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6 19  2  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 29  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 26 28  2  0  0  0  0
 26 52  1  0  0  0  0
 27 30  2  0  0  0  0
 28 30  1  0  0  0  0
 28 53  1  0  0  0  0
 29 31  3  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
146152965

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
765

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sQAAAAAAAAAAAAAAGCAAAWAAAAA8QAAAAAAAAAABwAAAHwAIAAAADwjBmgwxAIMABEDqGiFyEAiSAAAsAAAaiCE4DNgIJrKAtRmOMQBkzgGIqYec2SKPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(3-but-3-ynyldiazirin-3-yl)-1-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-azaspiro[2.5]octan-6-yl]propan-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(3-but-3-ynyl-3-diazirinyl)-1-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-azaspiro[2.5]octan-6-yl]-1-propanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(3-but-3-ynyldiazirin-3-yl)-1-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-azaspiro[2.5]octan-6-yl]propan-1-one

> <PUBCHEM_IUPAC_NAME>
3-(3-but-3-ynyldiazirin-3-yl)-1-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-azaspiro[2.5]octan-6-yl]propan-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(3-but-3-ynyl-1,2-diazirin-3-yl)-1-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-azaspiro[2.5]octan-6-yl]propan-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(3-but-3-ynyldiazirin-3-yl)-1-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-azaspiro[2.5]octan-6-yl]propan-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H24FN5O2/c1-2-3-8-23(27-28-23)9-7-19(30)29-12-10-22(11-13-29)15-18(22)21-26-25-20(31-21)16-5-4-6-17(24)14-16/h1,4-6,14,18H,3,7-13,15H2

> <PUBCHEM_IUPAC_INCHIKEY>
UQRHLYGWRJFUMJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
421.19140319

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24FN5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
421.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C#CCCC1(N=N1)CCC(=O)N2CCC3(CC2)CC3C4=NN=C(O4)C5=CC(=CC=C5)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C#CCCC1(N=N1)CCC(=O)N2CCC3(CC2)CC3C4=NN=C(O4)C5=CC(=CC=C5)F

> <PUBCHEM_CACTVS_TPSA>
84

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
421.19140319

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  16  3
2  16  8
2  19  8
22  25  8
22  26  8
25  27  8
26  28  8
27  30  8
28  30  8
5  16  8
5  6  8
6  19  8

$$$$
