Molecule FYI-1006461

A

Molecule Summary:

ID: FYI-1006461
Names:
InChIKey: GQBRZBHEPUQRPL-UHFFFAOYSA-N
SMILES: Cc4noc(c3ccc(c2ccc(C1(C(=O)O)CC1)cc2)cc3)c4NC(=O)OC(C)c5ccccc5

Received at FYIcenter.com on: 2023-12-21

Molecule ID: FYI-1006461 Edit

Molecule Structure InChIKey: GQBRZBHEPUQRPL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4noc(c3ccc(c2ccc(C1(C(=O)O)CC1)cc2)cc3)c4NC(=O)OC(C)c5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006461
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
   10.6315    4.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4185    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2054    4.9025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9923    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9923    2.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7793    4.9025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2866    4.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3494    3.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0497    2.5179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4198    2.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4607    1.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953    6.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0363    7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451    8.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    8.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720    7.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6632    6.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1217   10.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1627   11.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8606   12.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5393   12.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4983   12.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895   10.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2481   14.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0733   15.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6468   14.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4097   15.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3045   13.0668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4185    2.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2054    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2054    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6315    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6315    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
 31  2  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 36 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006461-3D
FYIcenter.com

 62 66  0     1  0  0  0  0  0999 V2000
    6.8564    1.7041   -0.9940 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465   -0.2785   -2.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6267   -3.7149    0.3227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1689    1.8635   -0.6489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6202    0.2965   -1.2622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5655   -0.3038   -0.0869 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0082   -3.8632    0.3103 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4191   -0.3018    0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3485   -1.2493    0.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0578    0.0960    1.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -0.6163    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9234    0.3528   -1.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0475    0.3195    0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5142   -1.8466   -0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6842    0.0250    0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -2.1411   -0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2358   -1.2054    0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8218   -1.5112    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0095   -0.9545    1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2892   -2.3616   -0.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3731   -1.2477    1.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0743   -2.6550   -0.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9055   -2.0980    0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3157   -2.4010    0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4655   -1.6643    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   -2.6253    0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3632    2.8802   -1.2565 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3761    3.4052   -0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9437   -2.4112    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6796    0.5865   -0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2614    3.9833   -1.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233    3.8577   -0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7177    3.4380    1.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2120    4.3429    0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8065    3.9234    2.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5537    4.3757    1.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479   -2.1154    1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3395   -1.4103    0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    0.8260    1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4655    0.1154    2.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3815    1.2865    1.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2161   -2.5858   -0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069    0.7970    1.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515   -3.1229   -0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    2.1313   -1.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3643   -0.3115    1.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8915   -2.7932   -1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0047   -0.8113    1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -3.3124   -1.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8198    2.4603   -2.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4814    0.0835    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2203   -1.8778   -0.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4969   -3.3562    0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2750   -1.8153    0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8632    4.4349   -1.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9662    3.5709   -2.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6801    4.7756   -2.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457    3.8383   -1.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6912    3.1036    1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636    4.6950   -0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0732    3.9515    3.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1557    4.7538    2.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 45  1  0  0  0  0
  2 12  2  0  0  0  0
  3  7  1  0  0  0  0
  3 24  1  0  0  0  0
  4 27  1  0  0  0  0
  4 30  1  0  0  0  0
  5 30  2  0  0  0  0
  6 25  1  0  0  0  0
  6 30  1  0  0  0  0
  6 51  1  0  0  0  0
  7 26  2  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 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  2  0  0  0  0
 14 42  1  0  0  0  0
 15 17  2  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
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 46  1  0  0  0  0
 20 22  2  0  0  0  0
 20 47  1  0  0  0  0
 21 23  2  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 27 50  1  0  0  0  0
 28 32  2  0  0  0  0
 28 33  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 34  1  0  0  0  0
 32 58  1  0  0  0  0
 33 35  2  0  0  0  0
 33 59  1  0  0  0  0
 34 36  2  0  0  0  0
 34 60  1  0  0  0  0
 35 36  1  0  0  0  0
 35 61  1  0  0  0  0
 36 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 3002👍, 0💬