60194005
  -OEChem-05092411212D

 70 75  0     1  0  0  0  0  0999 V2000
    8.9946   -5.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    3.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    2.7447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    2.9400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3966    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    1.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1195    1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8266    2.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0854    1.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140    0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    0.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845    1.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860    0.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    0.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    1.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -0.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845   -1.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -1.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -0.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9416    3.0547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2577    3.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5206    1.3136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2799    0.8752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4255    2.8593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6661    3.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    3.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746    4.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2459    1.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6843    1.8934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520   -1.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0505   -2.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -0.3144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    2.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -0.4991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3976   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3976   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348    0.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -0.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -0.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 19  2  0  0  0  0
  3 23  1  0  0  0  0
  3 63  1  0  0  0  0
  4 30  1  0  0  0  0
  4 36  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  7 22  1  0  0  0  0
  7 49  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 16  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  1  0  0  0
 13 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 48  1  0  0  0  0
 18 22  2  0  0  0  0
 18 26  1  0  0  0  0
 20 24  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 24  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 27  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 28  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 29  2  0  0  0  0
 26 60  1  0  0  0  0
 27 30  2  0  0  0  0
 27 61  1  0  0  0  0
 28 31  2  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 29 62  1  0  0  0  0
 31 33  1  0  0  0  0
 31 64  1  0  0  0  0
 32 34  2  0  0  0  0
 32 65  1  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 34 66  1  0  0  0  0
 35 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
 36 70  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60194005

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
786

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MQAAAAAAAAAAAAAAAABgAWAAAAA8eIEAAAAAAFgB9AAAHwAQCAAADyzhng4yxvPJlgCoAyVyVACCiCAhIiAImSE+bJgOdvLEsZuUcChm1hnY6AeY0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclobutyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
cyclobutyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclobutyl-[(1<I>S</I>)-1&apos;-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,4&apos;-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_NAME>
cyclobutyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclobutyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclobutyl-[(1S)-1'-(3-fluorobenzyl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H34FN3O3/c1-36-22-8-9-23-24(15-22)31-27-25(17-34)33(28(35)20-5-3-6-20)18-29(26(23)27)10-12-32(13-11-29)16-19-4-2-7-21(30)14-19/h2,4,7-9,14-15,20,25,31,34H,3,5-6,10-13,16-18H2,1H3/t25-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
IMMIOHDVMXXILN-RUZDIDTESA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
491.25842012

> <PUBCHEM_MOLECULAR_FORMULA>
C29H34FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
491.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CCN(CC4)CC5=CC(=CC=C5)F)C(=O)C6CCC6)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)CC5=CC(=CC=C5)F)C(=O)C6CCC6)CO

> <PUBCHEM_CACTVS_TPSA>
68.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
491.25842012

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
10  14  8
10  18  8
13  23  5
18  22  8
18  26  8
22  27  8
26  29  8
27  30  8
28  31  8
28  32  8
29  30  8
31  33  8
32  34  8
33  35  8
34  35  8
7  14  8
7  22  8

$$$$