Molecule FYI-1004550

A

Molecule Summary:

ID: FYI-1004550
Names:
InChIKey: MQCHTHJRANYSEJ-UHFFFAOYSA-N
SMILES: Cc4cccc(n3cnc2cc(C(=O)NCc1ccccc1Cl)ccc23)c4

Received at FYIcenter.com on: 2023-09-13

Molecule ID: FYI-1004550 Edit

Molecule Structure InChIKey: MQCHTHJRANYSEJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cccc(n3cnc2cc(C(=O)NCc1ccccc1Cl)ccc23)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004550
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.0227    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9595    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3289    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2657    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8331    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4636    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5268    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    4.7438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    5.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    7.0090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.5764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    7.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4764    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  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
 16  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  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
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004550-3D
FYIcenter.com

 45 48  0     0  0  0  0  0  0999 V2000
    5.2346   -0.5747    2.3016 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9332   -2.7689    0.6953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0725    1.0266    0.0562 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2503    2.2988    0.0217 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8444   -0.9395   -0.4001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0159    0.1535    0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8898    0.9719    0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4272    0.6993    0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4757   -1.0139    0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9502   -1.2393    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3856    0.3828    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5645    2.2951    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728   -1.8087    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8457   -0.4993   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3439    1.5764    0.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865   -1.6445    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2018   -0.8259   -0.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1977   -1.4422   -0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7000    1.2499    0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1289    0.0488    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2122   -0.3313   -0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6611   -2.1100   -1.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7263    0.1153    0.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6219    0.2379   -1.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6647    1.1473    0.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5602    1.2698   -1.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0817    1.7246   -0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2551    1.0308    0.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1752    3.1868   -0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5956   -2.8929    0.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1821   -1.1546   -1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0446    2.5109    1.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3671   -2.2007    0.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2827   -1.9799   -1.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6546   -0.0785   -0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4217    1.9288    1.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1884   -0.1932    0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7887   -1.9929   -2.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6147   -2.4349   -0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9368   -2.9105   -0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222   -0.1044   -2.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0807    1.5132    1.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8844    1.7199   -2.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8122    2.5282   -0.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 16  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  2  0  0  0  0
  5 16  1  0  0  0  0
  5 18  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  2  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  2  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 42  1  0  0  0  0
 25 27  1  0  0  0  0
 25 43  1  0  0  0  0
 26 27  2  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 2093👍, 0💬