Molecule FYI-1001618

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A

Molecule Summary:

ID: FYI-1001618
SMILES: FC1=CN=C(N=C1)N2C(=NC=N2)[C@H](C)NC3OC4=C(N=3)C=C(C=C4Cl)C(F)(F)F

Received at FYIcenter.com on: 2022-10-04

Molecule ID: FYI-1001618 Edit

Molecule Structure SMILES String: FC1=CN=C(N=C1)N2C(=NC=N2)[C@H](C)NC3OC4=C(N=3)C=C(C=C4Cl)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001618
FYIcenter.com

 29 32  0  0  1  0  0  0  0  0999 V2000
    5.1502   11.1601    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1907   10.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8996    8.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9400    7.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2715    8.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5626    9.7192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5221   10.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3118    7.4130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    6.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4444    5.4513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3813    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6813    7.7041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    5.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    6.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    5.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2493    5.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3819    3.9284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0622    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 F   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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  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 11  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 13 15  1  6  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  2  0  0  0  0
 20 19  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001618-3D
FYIcenter.com

 39 42  0  0  1  0  0  0  0  0999 V2000
   -1.1530    4.0655   -0.6243 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5438    3.1555    0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204    3.0609    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4608    2.1788    0.9963 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7028    1.3686    1.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6492    1.3635    1.7380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2405    2.2695    0.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780    0.5129    2.7149 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7301    0.4797    3.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9466   -0.4751    3.9322 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031   -0.9801    4.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7190   -0.4233    3.4579 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635    1.4007    2.4470 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2809    0.7798    1.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908    1.6892    3.3375 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    2.6365    2.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3419    3.6275    2.1487 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667    4.3379    1.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5127    3.7671    2.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0540    2.7062    3.2950 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8058    4.2841    2.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0038    5.3442    1.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9022    5.9040    0.7995 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6053    5.4122    0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2756    6.0690    0.1261 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3954    5.8532    1.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3699    5.2261    1.8943 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7255    5.6902   -0.1288 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5306    7.1814    1.4410 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561    3.7136   -0.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3247    2.2721    0.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113   -1.7884    4.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2913    2.3655    2.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8925   -0.1077    1.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8994    1.4883    0.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631    0.4709    0.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2646    0.8659    3.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6352    3.8354    2.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0657    6.7231    0.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 32  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13  9  1  0  0  0  0
 13 33  1  6  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
$$$$

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2022-10-07, 1085👍, 0💬