Molecule FYI-1004585

A

Molecule Summary:

ID: FYI-1004585
Names:
InChIKey: KNCFVNFYRHGGMD-UHFFFAOYSA-N
SMILES: CCN5CCN(Cc4ccc(Nc3ncc(F)c(c2cc(F)c1nn[nH]c1c2)n3)nc4)CC5

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004585 Edit

Molecule Structure InChIKey: KNCFVNFYRHGGMD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN5CCN(Cc4ccc(Nc3ncc(F)c(c2cc(F)c1nn[nH]c1c2)n3)nc4)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004585
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    5.1367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580    6.4158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657    6.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 F   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  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
 22 17  1  0  0  0  0
 23 21  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
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 32 25  1  0  0  0  0
 33 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004585-3D
FYIcenter.com

 56 60  0  0  0  0  0  0  0  0999 V2000
    0.3417   -5.8615    5.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3308   -6.4607    4.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0646   -6.1558    2.8716 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0566   -6.8559    2.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4514   -6.1843    2.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288   -4.7834    1.5467 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0742   -4.6641    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0343   -5.3518   -0.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1765   -4.7080   -1.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0181   -5.3637   -2.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7136   -6.6522   -2.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4891   -7.3059   -3.5652 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0933   -6.7446   -4.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0630   -5.4113   -4.8503 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6174   -4.8964   -5.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2355   -5.6661   -6.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7680   -5.0933   -7.9861 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2590   -7.0299   -6.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9291   -7.9863   -7.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4610   -9.3118   -7.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0610  -10.2372   -8.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5677  -11.4807   -8.6261 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576   -9.8447   -9.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9231  -10.5129  -10.2446 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8506   -9.6761  -10.6985 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6760   -8.5024  -10.0743 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6237   -8.5435   -9.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -7.5999   -8.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6633   -7.5776   -5.5691 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6454   -7.3183   -2.1237 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8321   -6.6559   -1.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569   -4.0445    2.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0637   -4.7160    2.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5322   -6.2755    6.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914   -6.0999    5.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4502   -4.7761    5.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2672   -7.5505    4.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420   -6.1678    4.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6566   -6.9018    1.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1575   -7.9037    2.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1578   -6.7860    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731   -6.1933    3.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0767   -3.5975   -0.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569   -5.0074   -0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4122   -3.6963   -0.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9048   -4.8498   -2.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708   -8.2475   -3.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5536   -3.8197   -6.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6062   -9.6462   -7.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2984   -7.7336  -10.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4774   -6.6020   -8.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9771   -7.2366   -0.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3306   -3.0229    2.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -3.9280    3.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   -4.6102    1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4544   -4.1416    3.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  2  0  0  0  0
  9 10  2  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  2  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  2  0  0  0  0
 20 21  2  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 28 51  1  0  0  0  0
 30 31  1  0  0  0  0
 31 52  1  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
 33 55  1  0  0  0  0
 33 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 1621👍, 0💬