Molecule FYI-1014349

A

Molecule Summary:

ID: FYI-1014349
Names:
InChIKey: BSTIDGXIEVTIMB-UHFFFAOYSA-N
SMILES: O=C(Nc2ccn(c1ccccc1)n2)NC4CCOc3c(Cl)cccc34

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014349 Edit

Molecule Structure InChIKey: BSTIDGXIEVTIMB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2ccn(c1ccccc1)n2)NC4CCOc3c(Cl)cccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1014349
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.7290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7057    2.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0979    2.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    4.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8446    5.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4521    5.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    4.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  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
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 14  4  2  0  0  0  0
 15  2  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  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 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
 26 20  1  0  0  0  0
 26 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014349-3D
FYIcenter.com

 43 46  0  0  1  0  0  0  0  0999 V2000
    1.4061   -0.1438   -0.4491 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5090    0.3573   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0942    0.3004    0.9953 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3103    0.8473    1.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9775    0.6289    2.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1598    1.3357    2.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1252    1.9871    1.2594 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0643    2.9066    0.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2175    3.2793    1.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1126    4.1976    0.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8529    4.7606   -0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7096    4.3928   -1.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8227    3.4673   -0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0184    1.6512    0.5650 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    0.9626   -1.2168 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8909    1.1566   -2.6135 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2623   -0.0925   -3.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5404    0.0536   -4.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6263    1.2796   -4.9429 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5197    2.3750   -4.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3277    3.4879   -4.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6278    3.3984   -5.5318 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1572    4.6717   -3.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690    4.7531   -2.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3955    3.6299   -2.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5899    2.4139   -3.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5777   -0.2268    1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714    0.0116    3.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9909    1.4266    3.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4586    2.8727    2.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0050    4.4878    1.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5472    5.4804   -0.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125    4.8289   -2.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9357    3.1977   -1.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1251    1.3589   -0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070    1.2993   -2.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405   -0.3041   -4.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3550   -0.9778   -2.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709   -0.7442   -4.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4390   -0.0621   -3.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8093    5.5223   -3.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0406    5.6695   -2.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726    3.6853   -1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  2  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1545👍, 0💬