Molecule FYI-1006541

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A

Molecule Summary:

ID: FYI-1006541
Names:
InChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-N
SMILES: CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12

Received at FYIcenter.com on: 2024-01-02

Molecule ID: FYI-1006541 Edit

Molecule Structure InChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1006541
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    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
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    1.2124    6.3000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  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 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 22  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006541-3D
FYIcenter.com

 48 49  0     1  0  0  0  0  0999 V2000
    5.6865    1.6202    1.4891 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4381    1.1166    0.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0243   -1.8990    0.2448 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3431    0.6111   -2.1920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3561   -1.5882   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6376   -1.0080    1.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -2.5616   -0.2376 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7816    0.0041    1.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4510   -3.7668    0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2352    1.7991    0.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5529    2.0603    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8066   -1.0680   -0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9736   -0.4264   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274    2.9196   -0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8132    1.3723   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4406   -0.8402   -1.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7133    0.4068   -0.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891   -0.6173    1.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2278   -0.0082   -2.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8547    1.0249   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5346    0.0133    1.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2681    0.8352    0.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680   -0.7804   -0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2508   -2.1112   -0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7438   -0.6068    1.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717   -1.8198    1.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0261   -2.9675   -1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6593   -0.5438    0.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0056    0.3494    2.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2277   -1.9839    1.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6502   -4.5083    0.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3918   -4.2531    0.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4978   -3.5055    1.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    2.1950    1.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3726    1.1280    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7567    2.5538    1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3335    2.8414   -0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8115    2.5869   -1.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4764    3.7965   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8146    3.2570    0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6178    0.7465   -1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2926    0.7651    0.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5486    2.1285   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4262   -1.2833   -2.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8545   -1.2511    1.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784    0.1916   -3.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4370    1.6716   -1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8419   -0.1462    2.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 30  1  0  0  0  0
  4 17  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 14  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 15  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 19  2  0  0  0  0
 16 44  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 22  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
M  END
$$$$

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2024-01-10, 2475👍, 0💬