Molecule FYI-1014587

A

Molecule Summary:

ID: FYI-1014587
Names:
InChIKey: QCBZVIHPLWLAJF-OAHLLOKOSA-N
SMILES: Cc5cccc(CNc4cc(N1CCOC[C@H]1C)n3nc(c2cc[nH]n2)nc3n4)c5

Received at FYIcenter.com on: 2025-04-30

Molecule ID: FYI-1014587 Edit

Molecule Structure InChIKey: QCBZVIHPLWLAJF-OAHLLOKOSA-N

Molecule Structure SMILES String: Cc5cccc(CNc4cc(N1CCOC[C@H]1C)n3nc(c2cc[nH]n2)nc3n4)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1014587
FYIcenter.com

 30 34  0  0  1  0  0  0  0  0999 V2000
   13.3368    7.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5969    4.7072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1663    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0740    2.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9954    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0358    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5587    3.5746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0439    0.0000 C   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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  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  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  6  0  0  0
 19 11  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  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  1  0  0  0  0
 26 22  2  0  0  0  0
 27 21  1  0  0  0  0
 28 27  2  0  0  0  0
 28 19  1  0  0  0  0
 29 28  1  0  0  0  0
 29  9  2  0  0  0  0
 30  6  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014587-3D
FYIcenter.com

 54 58  0  0  1  0  0  0  0  0999 V2000
    1.8516   -2.1892   -1.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6715   -1.2642   -1.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8460    0.1180   -1.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2616    0.9650   -1.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551    0.4399   -1.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7559   -0.9421   -1.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1484   -1.5358   -1.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3440   -2.3247    0.0748 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2552   -3.3613    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0396   -4.4715    1.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8804   -5.5261    1.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7139   -6.6430    1.9402 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2196   -8.0088    1.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3335   -8.4441    2.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9207   -8.3302    3.9522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5614   -6.9719    4.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3756   -6.4911    3.3796 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0955   -7.2626    3.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9636   -5.4676    0.1674 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0068   -6.3231    0.0144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7052   -5.7598   -0.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9445   -6.3308   -1.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7118   -5.6899   -2.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7636   -6.5449   -2.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5879   -7.6015   -1.9242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4895   -7.4988   -1.1597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2008   -4.5833   -1.4468 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1158   -4.3995   -0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2391   -3.3602   -0.7721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6295   -1.7836   -1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7965   -1.6368   -1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315   -2.8737   -2.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8373   -2.7693   -0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8450    0.5433   -1.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1135    2.0375   -1.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4010    1.1213   -1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2525   -2.1649   -2.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9114   -0.7507   -1.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4491   -1.7101    0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1587   -4.4170    1.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3784   -8.7056    1.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5460   -8.1078    0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5799   -9.4963    2.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2483   -7.8592    2.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3001   -6.9201    5.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4393   -6.3321    4.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007   -5.4362    3.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2097   -8.3416    3.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103   -7.1056    4.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2685   -6.9275    3.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5118   -4.7414   -3.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6093   -6.4918   -3.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1742   -8.4194   -1.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7735   -2.8613   -1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  2  0  0  0  0
  3  4  2  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  2  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  2  0  0  0  0
 10 11  2  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  1  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  2  0  0  0  0
 23 24  2  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1271👍, 0💬