Molecule FYI-1003066

A

Molecule Summary:

ID: FYI-1003066
Names:
InChIKey: YUNOZFUSZKAUSO-JSGCOSHPSA-N
SMILES: N#Cc4cc(c2cnc3cc(N[C@H]1CC[C@H](C(N)=O)C1)cnn23)ccc4O

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003066 Edit

Molecule Structure InChIKey: YUNOZFUSZKAUSO-JSGCOSHPSA-N

Molecule Structure SMILES String: N#Cc4cc(c2cnc3cc(N[C@H]1CC[C@H](C(N)=O)C1)cnn23)ccc4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003066
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.2272    5.5757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0146    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8022    5.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5897    4.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5897    3.4757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5493    2.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1800    2.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472    4.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3779    4.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4412    3.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0717    3.7032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8738    2.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431    1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1187    1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5111    1.4064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8022    2.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0146    3.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4396    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5860    3.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9554    3.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6554    4.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7186    5.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0477    4.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8706    3.4184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6172    5.8300    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  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  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  6  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 18  2  2  0  0  0  0
 19  1  1  6  0  0  0
 13 20  3  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 19 21  1  0  0  0  0
 23 25  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003066-3D
FYIcenter.com

 45 48  0  0  1  0  0  0  0  0999 V2000
    1.8717   17.5457   -3.1411 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5322   16.6298   -3.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3593   15.4888   -3.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277   14.8616   -2.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7885   13.7148   -2.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730   12.8643   -1.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5043   12.2619   -1.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4006   11.1478   -0.7890 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1205   11.0656   -0.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3683   10.0187    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0612   10.1826    0.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1798    9.2157    0.7857 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0811    8.9252    2.2247 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7576    8.2331    2.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9890    6.7637    2.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5028    6.5243    2.2946 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8706    5.4429    3.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2066    5.1887    3.4071 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0643    4.8042    3.9616 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1081    7.8843    2.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995   11.5306   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1153   12.4821   -0.6675 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4245   12.1817   -0.9235 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9386   13.2447   -4.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2676   13.8567   -5.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583   14.9603   -4.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   15.5039   -5.9856 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9055   15.2342   -1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4380   12.5042   -2.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8702    9.0771    0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3299    8.3478    0.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1723    9.8558    2.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0861    8.6530    1.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5329    8.3196    3.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752    6.5769    1.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3768    6.1181    2.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8832    6.2009    1.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    4.4287    4.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019    5.5788    2.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931    8.0200    2.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2455    7.9538    3.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   11.6848    0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5227   12.3472   -4.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3622   13.4356   -6.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572   14.9064   -6.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  2  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 12  1  0  0  0  0
 13 32  1  1  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  6  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
$$$$

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2023-06-19, 594👍, 0💬