Molecule FYI-1013557

A

Molecule Summary:

ID: FYI-1013557
Names:
InChIKey: OMJHYGQXULQISO-GJZGRUSLSA-N
SMILES: COc2ccc(C[C@H](C)N[C@@H](C)c1ccccc1)cc2

Received at FYIcenter.com on: 2025-01-08

Molecule ID: FYI-1013557 Edit

Molecule Structure InChIKey: OMJHYGQXULQISO-GJZGRUSLSA-N

Molecule Structure SMILES String: COc2ccc(C[C@H](C)N[C@@H](C)c1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013557
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  8 10  1  1  0  0  0
 11 10  1  6  0  0  0
 12 11  1  0  0  0  0
 13 11  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  6  1  0  0  0  0
 20 19  2  0  0  0  0
 20  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013557-3D
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
   -5.1537   -1.3375    0.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8902    2.0751    0.2906 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142    1.4243    0.6018 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6203    1.3173   -0.7118 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2136    1.2746   -0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1031    2.2557    1.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233   -0.0892   -0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    0.5756   -0.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8936    2.0746   -1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6012   -0.8028   -0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6587    1.3260   -0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9583   -1.1197   -1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582   -0.3080    1.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8225   -1.4485   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8803    0.6803    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2373   -2.4140   -0.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374   -1.6023    1.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9621   -0.7070   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4769   -2.6553    0.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2788   -0.5192    0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7480    0.4368    1.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0734    1.2755   -1.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2860    0.6818   -1.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3942    2.2584   -1.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7198    3.0218   -0.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9885    1.7408    2.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4126    3.2320    1.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529    2.4321    2.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5642    2.1971   -0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    3.0716   -1.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4516    1.5375   -1.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7190   -1.3901   -0.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    2.4072   -0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7740   -0.9416   -2.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1645    0.4930    1.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8799   -2.5295   -0.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7255    1.3168    0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685   -3.2338   -1.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6306   -1.7896    2.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958   -3.6628    0.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1442   -0.0026    1.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1406   -1.1848    0.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5156    0.1725   -0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 25  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 11 15  2  0  0  0  0
 11 33  1  0  0  0  0
 12 16  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  2  0  0  0  0
 13 35  1  0  0  0  0
 14 18  2  0  0  0  0
 14 36  1  0  0  0  0
 15 18  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  2  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1353👍, 0💬