60187000
  -OEChem-04262414212D

 71 76  0     1  0  0  0  0  0999 V2000
    8.9946    0.1471    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -2.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    3.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606   -3.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.2671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.6471    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4503    1.9518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5555   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    2.1471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4503    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430   -0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397    2.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -3.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -4.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606   -2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    0.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1171   -0.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1171   -0.9984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4081   -0.9984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4081   -0.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.0645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    0.7548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    2.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3932    2.6221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961    2.6221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0505    3.7297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520    3.0394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -3.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -1.1073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9471    3.4917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504    2.7098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5180   -3.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9166   -4.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3932   -1.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961   -1.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    1.5617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -1.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961   -4.7420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3932   -4.7420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4712   -2.8748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0727   -2.1845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    4.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267   -0.4729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    1.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    0.3371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348   -0.6432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -1.4633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.1529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 17  2  0  0  0  0
  3 20  1  0  0  0  0
  3 64  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 29  1  0  0  0  0
  5 37  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  8 14  1  0  0  0  0
  8 18  1  0  0  0  0
  8 23  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 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  6  0  0  0
 15 44  1  0  0  0  0
 16 18  2  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 49  1  0  0  0  0
 22 28  2  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 30  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 31  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 29  2  0  0  0  0
 26 58  1  0  0  0  0
 27 32  1  0  0  0  0
 27 33  2  0  0  0  0
 28 29  1  0  0  0  0
 28 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 33 65  1  0  0  0  0
 34 36  1  0  0  0  0
 34 66  1  0  0  0  0
 35 36  2  0  0  0  0
 35 67  1  0  0  0  0
 36 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60187000

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
819

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OQAAAAAAAAAAAAAAAABYAWAAAAA8aIEAAAAAAFgB9AAAHwAACAAADyzhng4yxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOdvLE8ZuWcChmxhnY6Aey0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(1R)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]-tetrahydropyran-4-yl-methanone

> <PUBCHEM_IUPAC_CAS_NAME>
[(1R)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-oxanyl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(1<I>R</I>)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3&apos;-azetidine]-1&apos;-yl]-(oxan-4-yl)methanone

> <PUBCHEM_IUPAC_NAME>
[(1R)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]-(oxan-4-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(1R)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]-(oxan-4-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(1R)-2-(2-fluorobenzyl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-1'-yl]-tetrahydropyran-4-yl-methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H34FN3O4/c1-31-24-13-21(36-2)7-8-22(24)26-27(31)25(15-34)32(14-20-5-3-4-6-23(20)30)16-29(26)17-33(18-29)28(35)19-9-11-37-12-10-19/h3-8,13,19,25,34H,9-12,14-18H2,1-2H3/t25-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BGQLYDWPYRAYRC-VWLOTQADSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
507.25333474

> <PUBCHEM_MOLECULAR_FORMULA>
C29H34FN3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
507.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)C(=O)C5CCOCC5)CC6=CC=CC=C6F)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CN(C4)C(=O)C5CCOCC5)CC6=CC=CC=C6F)CO

> <PUBCHEM_CACTVS_TPSA>
67.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
507.25333474

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
13  14  8
13  16  8
15  20  6
16  18  8
16  22  8
18  26  8
22  28  8
26  29  8
27  32  8
27  33  8
28  29  8
32  34  8
33  35  8
34  36  8
35  36  8
8  14  8
8  18  8

$$$$