Molecule FYI-1000333

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Molecule Summary:

ID: FYI-1000333
SMILES: Cc1cc(c(cc1F)[C@](C)(C(=O)OC)NCC(C)C)F

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000333 Edit

Molecule Structure SMILES String: Cc1cc(c(cc1F)[C@](C)(C(=O)OC)NCC(C)C)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1000333
FYIcenter.com

 20 20  0  0  1  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    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  7  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  6  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  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 17  1  0  0  0  0
 20  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000333-3D
FYIcenter.com

 41 41  0  0  1  0  0  0  0  0999 V2000
    7.6882    2.4711   -5.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4181    2.0250   -4.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3377    2.2521   -3.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1158    1.7271   -2.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9731    0.9722   -1.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0308    0.8087   -2.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2670    1.3093   -4.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3717    1.0523   -5.1569 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8062    0.2368   -0.5311 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3245    0.1584   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5106    1.0195    0.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0308    2.0070    1.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7101    0.4643    0.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4078    1.1671    2.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3714   -1.1562   -0.6095 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8246   -2.0106   -1.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3878   -3.4426   -1.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0845   -4.2002   -0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7968   -4.1995   -2.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0603    1.9515   -1.2576 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5781    3.1057   -5.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8405    3.0452   -6.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8547    1.5990   -6.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2503    2.8141   -3.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1283    0.2200   -2.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2381   -0.2764    0.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6926   -0.4399   -0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8741    1.1584   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3850    0.6941    2.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8553    1.0955    2.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5699    2.2140    1.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2639   -1.5947    0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0707   -1.5873   -2.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7347   -2.0768   -1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4783   -3.4002   -1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0091   -4.2138   -0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5918   -3.7464    0.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4288   -5.2378   -0.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7064   -4.2691   -2.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1986   -5.2146   -2.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0329   -3.6882   -3.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  1  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9  5  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$

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2022-07-26, 2968👍, 0💬