Molecule FYI-1004551

A

Molecule Summary:

ID: FYI-1004551
Names:
InChIKey: CZSLEMCYYGEGKP-UHFFFAOYSA-N
SMILES: Cc4ccc(C)c(n3cnc2cc(C(=O)NCc1ccccc1Cl)ccc23)c4

Received at FYIcenter.com on: 2023-09-13

Molecule ID: FYI-1004551 Edit

Molecule Structure InChIKey: CZSLEMCYYGEGKP-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(C)c(n3cnc2cc(C(=O)NCc1ccccc1Cl)ccc23)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004551
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.0227    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9595    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3289    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2657    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8331    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7698    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4636    3.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5269    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    4.7438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    5.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    7.0089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.6763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.5763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4764    0.0000 Cl  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  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  7  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 17 16  2  0  0  0  0
 17  9  1  0  0  0  0
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 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004551-3D
FYIcenter.com

 48 51  0     0  0  0  0  0  0999 V2000
   -5.1293   -2.5527    0.0175 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5018    2.0262   -1.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9475   -0.7626    0.3584 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3001   -2.1581    0.8857 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648   -0.2220   -1.2662 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7999   -0.1591   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2463   -0.2676    0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856   -1.0496    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2297   -0.9743   -0.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5689    1.0523   -0.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5974   -1.9531    0.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569    0.9521    0.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7997    0.4823   -0.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5441   -0.7287   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8507    1.4654    0.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395    1.3556   -1.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5236   -0.4612   -0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8341    0.7586    0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9307   -2.2848   -1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1693    0.8345   -1.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4502   -0.0356   -1.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1835    2.7691    1.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3335    0.1276   -0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6885   -0.9583    0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5110   -0.7671    1.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6233    1.5961    0.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9785    0.5101    1.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3704    1.7320   -1.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145   -2.6251    1.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3277   -1.4158    0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0351    2.2921   -1.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7433   -1.1822   -1.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9354    3.5948    0.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5331    2.2625   -0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7968   -1.6027    2.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9869    2.5905    1.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6189    0.6592    2.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 20  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  2  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 41  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 19  1  0  0  0  0
 10 16  2  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
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 13 20  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
 15 22  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 45  1  0  0  0  0
 26 28  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

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2023-09-23, 2481👍, 0💬