Molecule FYI-1004114

A

Molecule Summary:

ID: FYI-1004114
Names:
InChIKey: GFZFQWZULKKDIE-QFIPXVFZSA-N
SMILES: CC(C)Cn4cc(P(C)(C)=O)c3cc(Oc2ccc(NC(=O)[C@@H]1CCCN1)cc2)ccc34

Received at FYIcenter.com on: 2023-08-13

Molecule ID: FYI-1004114 Edit

Molecule Structure InChIKey: GFZFQWZULKKDIE-QFIPXVFZSA-N

Molecule Structure SMILES String: CC(C)Cn4cc(P(C)(C)=O)c3cc(Oc2ccc(NC(=O)[C@@H]1CCCN1)cc2)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1004114
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
    8.6378   14.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253   13.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253   12.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128   14.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0004   13.9897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215   14.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846   13.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846   12.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541   12.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7908   11.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3582   10.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9888    9.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5562    8.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0603    6.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9972    5.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3665    5.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3033    4.4412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8707    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5013    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8075    2.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5163    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7692    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1999    2.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7991    6.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8624    7.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0520   10.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923   13.6650    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460   12.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386   15.0573    0.0000 O   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  1  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 21  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  2  0  0  0  0
 27 14  1  0  0  0  0
 28 12  2  0  0  0  0
 28  8  1  0  0  0  0
 29  7  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 32 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004114-3D
FYIcenter.com

 64 67  0  0  1  0  0  0  0  0999 V2000
    2.7174   -0.5234   -3.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323    0.1509   -2.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121    0.2383   -2.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286   -0.5904   -1.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3844   -0.6309   -1.2293 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1611    0.4900   -1.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4909    0.1158   -1.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.2677   -1.2280 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    2.0197   -2.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9868    2.4364    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1159    2.2424   -1.2305 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5269   -1.3004   -1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5569   -2.2598   -1.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2304   -3.6226   -1.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3083   -4.4883   -1.1661 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1201   -5.7678   -0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7786   -6.7837   -1.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6032   -8.1147   -0.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625   -8.4315    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4835   -9.7489    0.4843 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1396  -10.9036    0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1344  -10.9736   -0.6186 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4653  -12.1744    0.6204 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5198  -12.7557   -0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6373  -13.6622    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5945  -13.0058    1.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5635  -11.9009    1.7723 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1377   -7.3982    0.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3529   -6.0678    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024   -4.0301   -1.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610   -3.1044   -1.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1925   -1.7454   -1.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966    0.0221   -4.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -1.5537   -3.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.5430   -3.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7163    1.1788   -2.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565   -0.7569   -2.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3846    0.7839   -3.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5283    0.7703   -1.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454   -1.6133   -1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6413   -0.0888   -0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7002    1.4693   -1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1809    1.8998   -3.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8106    1.5253   -3.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4843    3.0887   -2.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9795    2.1465    0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    3.4411   -0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6010    2.4376    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5985   -1.9564   -1.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4120   -6.5559   -2.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1108   -8.8841   -1.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7499   -9.9090    1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2372  -12.8922    0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0474  -13.3019   -1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9179  -11.9745   -0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0978  -14.6547    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6437  -13.7824   -0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8486  -13.7335    2.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5963  -12.6134    2.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1129  -11.9079    2.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4883   -7.6114    1.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8846   -5.2752    1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6431   -5.0814   -1.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8311   -3.4437   -1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 36  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  2  0  0  0  0
 13 14  2  0  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  2  0  0  0  0
 17 18  2  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  2  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 23 53  1  1  0  0  0
 24 25  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 26  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 28 61  1  0  0  0  0
 29 62  1  0  0  0  0
 30 31  2  0  0  0  0
 30 63  1  0  0  0  0
 31 32  1  0  0  0  0
 31 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 1385👍, 0💬