Molecule Editor

Molecule ID: FYI-1017612 Edit

Molecule Structure InChIKey: JJCQNUUTZYKPLW-MUUNZHRXSA-N

Molecule Structure SMILES String: Cc4ccc(C(=O)OCc3ccc([C@H](C(=O)Nc2ccc1cnccc1c2)C(C)C)cc3)c(C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1017612
FYIcenter.com

 35 38  0  0  1  0  0  0  0  0999 V2000
   14.5493   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   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
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 17 18  1  1  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  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
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
 31 30  2  0  0  0  0
 31 22  1  0  0  0  0
  4 32  2  0  0  0  0
 32  3  1  0  0  0  0
 32 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017612-3D
FYIcenter.com

 65 68  0  0  1  0  0  0  0  0999 V2000
    4.1730  -16.1410   -6.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457  -15.0496   -6.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8815  -15.2063   -6.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9377  -14.1815   -6.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476  -12.9849   -6.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2234  -11.9114   -6.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4487  -10.7271   -6.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9669  -12.4721   -5.7193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0522  -11.5525   -5.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1478  -11.0833   -4.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0823   -9.7192   -3.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2145   -9.2807   -2.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4107  -10.1997   -1.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -9.7052   -0.0292 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4373  -10.2278    0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5955  -11.1347    1.6711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2470   -9.5542    0.6220 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9131   -9.5654    1.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9733  -10.1590    2.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1335  -10.0624    3.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2566   -9.3720    2.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4351   -9.2302    3.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5287   -8.5567    3.2882 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4513   -7.9984    2.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3367   -8.0816    1.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2119   -8.7770    1.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366   -8.8814    0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9843  -10.0452    0.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1755   -9.3649    1.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -9.6004   -0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4531  -11.5672   -1.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255  -12.0030   -3.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5183  -12.8070   -5.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9025  -11.5404   -4.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582  -13.8471   -5.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618  -17.0475   -6.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5261  -16.4058   -5.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234  -15.8115   -6.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206  -16.1259   -7.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0389  -14.3187   -7.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9742  -12.0866   -5.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9802  -10.7166   -6.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9330   -8.9864   -4.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1818   -8.2117   -2.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -8.6084   -0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1969   -9.0258   -0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240  -10.6866    3.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468  -10.5167    4.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5311   -9.6625    4.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3389   -7.4583    1.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3492   -7.6030    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0011   -8.4100   -0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0718  -11.1293    0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0764   -8.2771    1.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4464   -9.7137    2.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1697   -9.5823    2.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0504   -8.5371   -0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1014   -9.7578    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1483  -10.1719   -1.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5992  -12.3053   -0.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3701  -13.0689   -3.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429  -11.2671   -4.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0299  -10.7250   -5.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8473  -11.6590   -4.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489  -13.7235   -5.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  2  0  0  0  0
  3  4  2  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  2  0  0  0  0
 11 12  2  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 13 31  2  0  0  0  0
 14 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 13  1  0  0  0  0
 14 45  1  6  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  2  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
M  END
$$$$