HMDB0257192 RDKit 3D (E)-N-(2-Amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide 46 48 0 0 0 0 0 0 0 0999 V2000 -4.5721 -2.2033 -1.5789 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3875 -1.0358 -1.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5787 -1.1063 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3914 -0.0161 -2.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 -0.1553 -3.3315 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.9637 1.1823 -2.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 1.2618 -1.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9313 0.1897 -1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 0.2015 -0.5667 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 1.3213 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 2.4534 -0.0284 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7937 1.1353 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2064 2.1633 1.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 1.9759 1.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8122 2.9424 2.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9362 2.3485 3.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9353 1.0713 2.7344 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9364 0.0851 3.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9137 0.0515 1.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 -1.0720 1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0228 -1.2270 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 -0.1659 -0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6776 -0.3180 -1.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8272 -1.5191 -1.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0511 -2.5668 -1.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1697 -2.4330 -0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 0.8083 2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 -2.5023 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2404 -2.7834 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9222 -2.0611 -2.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5660 2.0628 -2.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4563 2.2248 -1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -0.7371 -0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3568 0.1693 0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 3.1473 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 3.9880 2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4937 -0.9202 3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4684 0.3429 4.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4492 0.9460 1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5151 -1.9653 1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7529 0.8107 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2777 0.5066 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5043 -1.6661 -2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1329 -3.5393 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5544 -3.2594 -0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 -0.1374 1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 3 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 17 27 1 0 8 2 1 0 27 14 2 0 26 21 1 0 1 28 1 0 1 29 1 0 3 30 1 0 6 31 1 0 7 32 1 0 9 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 18 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 22 41 1 0 23 42 1 0 24 43 1 0 25 44 1 0 26 45 1 0 27 46 1 0 M END