Molecule FYI-1004349

Molecule Summary:

ID: FYI-1004349
Names:
InChIKey: JTVKBAPQGXQLGS-UHFFFAOYSA-N
SMILES: CCC(C)C(N)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)N6CCCC6C(=O)NC(Cc7c[nH]c8ccccc78)C(=O)NC(Cc9c[nH]c%10ccccc9%10)C(=O)N%11CCCC%11C(=O)NC(Cc%12c[nH]c%13ccccc%12%13)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O.N/C(N)=N/C(=O)c1nc(Cl)c(N)nc1N

Received at FYIcenter.com on: 2023-09-01

Molecule ID: FYI-1004349 Edit

Molecule Structure InChIKey: JTVKBAPQGXQLGS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)C(N)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)N6CCCC6C(=O)NC(Cc7c[nH]c8ccccc78)C(=O)NC(Cc9c[nH]c%10ccccc9%10)C(=O)N%11CCCC%11C(=O)NC(Cc%12c[nH]c%13ccccc%12%13)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N

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FYI-1004349
FYIcenter.com

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152151  2  0  0  0  0
153152  1  0  0  0  0
154152  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004349-3D
FYIcenter.com

265277  0  0  1  0  0  0  0  0999 V2000
    7.9912    5.1459   11.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694    5.0034    9.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2131    4.9234    9.8008 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6561    3.7002   10.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    4.9633    8.3776 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5484    3.8098    7.5174 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6905    6.3240    7.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4213    7.3653    8.2042 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9902    6.2746    6.2449 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1660    7.4006    5.3242 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.2684    8.3541    5.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7044    7.8004    5.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6794    8.9305    6.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9440    6.6562    6.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3749    6.8106    3.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4462    5.5867    3.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7314    6.1957    0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9729    5.0733    0.2039 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3305    4.1068   -0.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4155    3.0185   -0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2957    2.5548    0.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0966    1.1431   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3850    0.0438   -0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0493    0.0532   -2.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3592    1.1506   -2.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0924    2.2297   -2.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5254    2.2035   -1.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2551    5.7582   -0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4204    5.0144   -0.4105 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7709    5.5732   -0.7758 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.1515    6.7664    0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1721    6.3932    1.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3899    7.5754    2.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2659    8.6151    2.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3873    9.6286    3.5413 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8181    4.4151   -0.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4102    3.2627   -0.5604 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1455    4.7494   -0.8902 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2752    3.7753   -0.8035 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.3284    2.7886   -1.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1893    3.4122   -3.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1258    4.1534   -4.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5842    4.5429   -5.2199 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2686    4.1597   -5.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0197    3.9260   -5.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0321    3.3530   -4.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5329    4.5964   -0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4422    5.8058   -0.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7173    3.9736   -0.4835 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0614    2.5756   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2499    2.6094    0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9326    3.9220    0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9396    4.7370   -0.5231 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.3175    4.9198   -2.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1690    5.9867   -2.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9573    3.8621   -2.7075 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.8838    4.0274   -3.9327 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.0759    5.1107   -3.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2895    4.6679   -2.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1851    3.7764   -1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3940    3.4960   -1.0772 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3725    3.8011   -1.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6952    3.3847   -2.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2212    3.4757   -3.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5740    4.3063   -4.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5772    5.2292   -3.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7437    4.6862   -2.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4278    2.5660   -4.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9095    1.7910   -3.6115 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8125    2.3582   -5.7999 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9385    1.2580   -6.4772 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.2630   -0.0609   -6.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1622    0.0002   -7.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7493    0.9858   -8.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5498    0.5917   -8.8556 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.2630   -0.6616   -8.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1825   -1.4642   -8.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1473   -2.7178   -8.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1798   -3.1480   -7.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2631   -2.3280   -6.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2781   -1.0682   -7.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6684    1.4444   -7.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5238    2.4907   -8.6270 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5306    0.4910   -8.5026 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.5610    0.3216   -9.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7351   -1.1742  -10.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7676   -1.4709   -8.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5845   -0.3297   -7.8744 C   0  0  3  0  0  0  0  0  0  0  0  0
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   33.8830   -0.3937   -7.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2391    1.6642   -7.8271 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.5613    2.3534   -7.6477 C   0  0  3  0  0  0  0  0  0  0  0  0
   35.4540    2.1723   -8.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8261    2.8066   -8.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6321    2.8393   -7.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
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   39.3129    5.1357  -11.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1525    4.6553  -11.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
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   34.1989    5.8905   -5.7780 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.8008    6.4431   -6.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5999    5.4916   -6.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0665    5.6829   -6.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4730    4.5060   -5.9761 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1659    3.3586   -5.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0217    2.7865   -6.3661 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.9454    2.6638   -4.4081 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.5944    6.0237   -4.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5431    5.3316   -3.6681 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8868    6.8264   -3.1638 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.9545    6.6803   -1.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8059    7.3075   -0.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
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   30.4098    7.1644    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1633    6.4851    0.0960 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2591    6.9022   -0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3472    6.0735   -1.0645 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9315    5.3892   10.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4491    5.9417   11.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0327    4.2156   11.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807    5.8707    9.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2617    4.1155    9.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5568    5.8091   10.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4889    2.7561   10.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1152    3.6308   11.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7178    3.7676   10.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9807    4.9077    8.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5305    3.7427    7.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8276    2.9506    7.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0946    5.3457    5.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2022    7.9260    5.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0332    8.7043    6.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2498    9.2650    5.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9311    7.4469    4.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5475    9.2651    7.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7117    8.5874    6.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9904    6.3378    6.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2523    9.5940    3.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6116    9.4119    3.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0002   10.6195    1.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
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130258  1  0  0  0  0
131132  1  0  0  0  0
131259  1  0  0  0  0
131260  1  0  0  0  0
132133  1  0  0  0  0
132261  1  0  0  0  0
132262  1  0  0  0  0
133134  1  0  0  0  0
133263  1  0  0  0  0
134135  2  0  0  0  0
134264  1  0  0  0  0
135265  1  0  0  0  0
M  END
$$$$

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2023-09-07, 1887👍, 0💬