Molecule FYI-1008262

A

Molecule Summary:

ID: FYI-1008262
Names:
InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N
SMILES: Cc4cc3c(N1CCN(C)CC1)nc2ccccc2[nH]c3s4

Received at FYIcenter.com on: 2024-04-26

Molecule ID: FYI-1008262 Edit

Molecule Structure InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc3c(N1CCN(C)CC1)nc2ccccc2[nH]c3s4

Download SDF Download SVG Structure in 2D SDF:

FYI-1008262
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.1002    6.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8878    5.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6088    5.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3720    3.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7414    4.0104    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8606    2.4161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5227    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1046    2.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    2.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2614    4.1882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2876    5.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    6.4783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8273    7.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145    8.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0496    9.1539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0974    8.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101    6.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6370   10.4917    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
  6  2  1  0  0  0  0
  7  5  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 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  4  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  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008262-3D
FYIcenter.com

 42 45  0     0  0  0  0  0  0999 V2000
    1.4643   -3.4187   -0.2901 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642    0.2992    0.1507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3329    1.2583   -0.0948 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4463    1.1902    0.1082 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4932   -1.0141   -0.5290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3620    0.8110    1.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5246   -0.2147   -0.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4217    1.8309    0.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5808    0.8273   -1.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205    0.1456    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1001   -1.2529    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3649    2.2264   -0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3666   -1.6976   -0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7479   -2.3837    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368    1.3118    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7793    0.3363   -0.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1351   -3.6005    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2971    2.6191    0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1447    0.7091   -0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946   -4.9528    0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    2.9652    0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5753    2.0046   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6592    1.2869    2.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8283   -0.0248    1.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0330   -1.1292   -0.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413   -0.4589   -1.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9297    2.7302    0.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9855    2.1296    1.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2629    0.3819   -2.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0952    1.6866   -1.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9519    2.5158    0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0678    1.7849   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9424    3.1337   -0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690   -2.3123    0.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990   -1.5557   -0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799    3.3964    0.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8965   -0.0337   -0.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825   -5.5305   -0.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1234   -5.5014    1.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7334   -4.9014    0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9597    3.9810    0.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6300    2.2546   -0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 10  2  0  0  0  0
  4 15  1  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5 35  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 17  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 36  1  0  0  0  0
 19 22  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 749👍, 0💬