Molecule FYI-1007653

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A

Molecule Summary:

ID: FYI-1007653
Names:
InChIKey: VPNGEIHDPSLNMU-MERQFXBCSA-N
SMILES: Cc2cccc([C@H](C)c1cnc[nH]1)c2C.Cl

Received at FYIcenter.com on: 2024-03-08

Molecule ID: FYI-1007653 Edit

Molecule Structure InChIKey: VPNGEIHDPSLNMU-MERQFXBCSA-N

Molecule Structure SMILES String: Cc2cccc([C@H](C)c1cnc[nH]1)c2C.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007653
FYIcenter.com

 16 16  0  0  1  0  0  0  0  0999 V2000
    0.9576    7.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8575    6.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    5.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    4.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7997    3.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    2.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3609    0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0962    2.1980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6573    4.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1361    6.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2362    7.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6561    4.0089    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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  1  0  0  0
  8  6  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
 12  8  1  0  0  0  0
 13  5  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007653-3D
FYIcenter.com

 33 33  0  0  1  0  0  0  0  0999 V2000
    2.0854   -2.0771    4.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4272   -2.9589    3.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5560   -4.3470    3.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9755   -5.2058    2.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2609   -4.6982    1.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1015   -3.3105    1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937   -2.8643   -0.0483 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1597   -3.3142    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0399   -3.3736   -1.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653   -3.1397   -1.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4817   -3.7395   -2.8975 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3087   -4.3280   -3.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6319   -4.1228   -2.2701 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935   -2.4154    2.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5812   -0.9026    2.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7235    1.2652   -0.6265 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6155   -2.6715    5.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3247   -1.4561    4.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8356   -1.4161    3.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1106   -4.7705    4.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -6.2763    2.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1693   -5.4023    0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7201   -1.7718   -0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2442   -4.4215    0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7363   -2.9436   -0.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6265   -2.8969    0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0061   -2.5711   -1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1408   -4.8943   -4.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6127   -4.4769   -2.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012   -0.4915    1.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5955   -0.4590    2.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0896   -0.5250    2.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4041    0.1265   -0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7  6  1  0  0  0  0
  7 23  1  6  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 1240👍, 0💬