60193934
  -OEChem-04262418172D

 65 69  0     1  0  0  0  0  0999 V2000
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    8.9946    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.7635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -5.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -0.5171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    2.3971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    2.7018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -3.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5555    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2626    2.8971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2626   -1.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1286   -2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    2.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8732    3.7894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746    4.4797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -0.3573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3406   -1.4345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    2.3117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4621    1.9222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2592    1.9222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -0.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    5.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 51  1  0  0  0  0
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  9 29  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 34  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60193934

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
738

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAAABYAWAAAAA8WIAAAAAAAFgB8AAAHgAQCAAADizhngYyxvPJlgCoAyVyVACCiCAhIiAImSG+bJgOduLE8buXcChm1hnY6AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(2-morpholinoacetyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]propan-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-[2-(4-morpholinyl)-1-oxoethyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(1<I>S</I>)-1-(hydroxymethyl)-7-methoxy-1&apos;-(2-morpholin-4-ylacetyl)spiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,3&apos;-azetidine]-2-yl]propan-1-one

> <PUBCHEM_IUPAC_NAME>
1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(2-morpholin-4-ylacetyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]propan-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(2-morpholin-4-ylethanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]propan-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(1S)-7-methoxy-1-methylol-1'-(2-morpholinoacetyl)spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-2-yl]propan-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H32N4O5/c1-3-20(30)28-15-24(13-27(14-24)21(31)11-26-6-8-33-9-7-26)22-17-5-4-16(32-2)10-18(17)25-23(22)19(28)12-29/h4-5,10,19,25,29H,3,6-9,11-15H2,1-2H3/t19-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WODPIPJRJHUPLK-LJQANCHMSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
456.23727013

> <PUBCHEM_MOLECULAR_FORMULA>
C24H32N4O5

> <PUBCHEM_MOLECULAR_WEIGHT>
456.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=O)N1CC2(CN(C2)C(=O)CN3CCOCC3)C4=C(C1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=O)N1CC2(CN(C2)C(=O)CN3CCOCC3)C4=C([C@H]1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_CACTVS_TPSA>
98.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
456.23727013

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
14  15  8
14  17  8
16  20  5
17  19  8
17  22  8
19  24  8
22  26  8
24  27  8
26  27  8
8  15  8
8  19  8

$$$$