60193897
  -OEChem-05092404482D

 71 76  0     1  0  0  0  0  0999 V2000
    6.3966    3.6230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    3.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -0.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3094    2.4594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.8770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    1.9277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8094    3.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1286    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2626   -2.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286   -4.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1286   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    1.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    2.1230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4503    0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430   -0.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6402    1.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8312    3.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8481    0.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0881    3.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6520   -2.7693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0505   -3.4596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1537   -4.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1036   -4.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112   -3.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2363   -2.7664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    2.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2577    2.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    3.0154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746    3.7056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -1.1314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7635   -1.3161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3966    4.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348   -0.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5652   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417    0.6092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9770    0.1317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4546    0.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5029    4.2474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6273    4.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6732    3.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 62  1  0  0  0  0
  2 26  2  0  0  0  0
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  4  9  1  0  0  0  0
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  5 16  1  0  0  0  0
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 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
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 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 60  1  0  0  0  0
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 36 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60193897

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
803

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAGAAAAWLAAAA8WIAAAAAAAFgB/AAAHgAUCAAADyzhngYzxvPZlgCpA6RyVgCCiCAlMiAomSG/fNqOdvrEsbuUcahu1pvY6WeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R)-1'-(cyclopropylmethyl)-N-(3,5-dimethylisoxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(1R)-1'-(cyclopropylmethyl)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>)-1&apos;-(cyclopropylmethyl)-<I>N</I>-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,4&apos;-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1R)-1'-(cyclopropylmethyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R)-1'-(cyclopropylmethyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R)-1'-(cyclopropylmethyl)-N-(3,5-dimethylisoxazol-4-yl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H35N5O4/c1-16-24(17(2)36-30-16)29-26(34)32-15-27(8-10-31(11-9-27)13-18-4-5-18)23-20-7-6-19(35-3)12-21(20)28-25(23)22(32)14-33/h6-7,12,18,22,28,33H,4-5,8-11,13-15H2,1-3H3,(H,29,34)/t22-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
CKQKWKSJYPASDF-QFIPXVFZSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
493.26890461

> <PUBCHEM_MOLECULAR_FORMULA>
C27H35N5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
493.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=NO1)C)NC(=O)N2CC3(CCN(CC3)CC4CC4)C5=C(C2CO)NC6=C5C=CC(=C6)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=NO1)C)NC(=O)N2CC3(CCN(CC3)CC4CC4)C5=C([C@@H]2CO)NC6=C5C=CC(=C6)OC

> <PUBCHEM_CACTVS_TPSA>
107

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
493.26890461

> <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>
15  21  8
15  23  8
22  25  6
23  24  8
23  27  8
24  28  8
27  29  8
28  30  8
29  30  8
31  32  8
31  33  8
4  32  8
4  9  8
7  21  8
7  24  8
9  33  8

$$$$