59743
  -OEChem-05102408232D

 57 62  0     1  0  0  0  0  0999 V2000
    2.6444    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4246   -3.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4246   -1.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3368   -3.4809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8368   -2.6149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532   -0.9441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960    0.7507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9992    2.4657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8368   -2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368   -1.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368   -3.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3368   -1.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3368   -3.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3368   -1.7489    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3368   -1.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8368   -2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3756   -3.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3756   -2.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532   -2.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8027   -2.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8070   -1.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0639    0.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9594   -3.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -2.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2646   -3.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0424    0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3530    1.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7067    1.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6852    1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0240    2.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3344    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    3.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9194   -1.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2291   -1.1383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2291   -4.0915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9194   -3.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4445   -1.1383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -1.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -3.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4445   -4.0915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185   -1.1966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9194   -1.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -1.1383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5046   -3.7214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9923   -3.0501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9923   -2.1797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5046   -1.5084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5487   -3.7247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -2.7182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3430   -4.8066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8031   -4.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4564   -0.2489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9597    1.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6321    3.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292    4.2616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  4 17  2  0  0  0  0
  5 22  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  7 15  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 23  2  0  0  0  0
  8 30  1  0  0  0  0
  9 30  1  0  0  0  0
  9 34  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  1  0  0  0  0
 21 25  2  0  0  0  0
 23 28  1  0  0  0  0
 24 26  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 27  2  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 29  2  0  0  0  0
 28 54  1  0  0  0  0
 29 31  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 56  1  0  0  0  0
 33 34  1  0  0  0  0
 33 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59743

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
783

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAEAAAAAAAAAAAAAAAAAWJAAAA8WLEAAAAAAFix/AAAHgIAAAAADC7hmyYxuN8IFACoAiNydACCgCklB6AJmCE4ZtiZKPrB35GmIQhqhwLOyacciICOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-ethyl]isoindolin-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3H-isoindol-1-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3<I>H</I>-isoindol-1-one

> <PUBCHEM_IUPAC_NAME>
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3H-isoindol-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-keto-ethyl]isoindolin-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H23ClN4O4/c26-20-7-5-16-6-8-21(28-23(16)27-20)30-19(17-3-1-2-4-18(17)24(30)32)15-22(31)29-11-9-25(10-12-29)33-13-14-34-25/h1-8,19H,9-15H2

> <PUBCHEM_IUPAC_INCHIKEY>
DPGKFACWOCLTCA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
478.1407829

> <PUBCHEM_MOLECULAR_FORMULA>
C25H23ClN4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
478.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC12OCCO2)C(=O)CC3C4=CC=CC=C4C(=O)N3C5=NC6=C(C=C5)C=CC(=N6)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC12OCCO2)C(=O)CC3C4=CC=CC=C4C(=O)N3C5=NC6=C(C=C5)C=CC(=N6)Cl

> <PUBCHEM_CACTVS_TPSA>
84.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
478.1407829

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
15  16  3
20  21  8
20  24  8
21  25  8
23  28  8
24  26  8
25  27  8
26  27  8
28  29  8
29  31  8
30  31  8
31  32  8
32  33  8
33  34  8
8  23  8
8  30  8
9  30  8
9  34  8

$$$$