9578243 -OEChem-10051719593D 41 42 0 0 0 0 0 0 0999 V2000 -2.6246 0.1881 0.4841 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4707 -2.5700 0.1772 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3602 0.9935 -0.1237 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 -0.7609 0.6479 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 0.0760 0.0296 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5776 1.2689 0.1079 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0866 1.1462 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 2.4745 0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4734 0.7713 -0.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6809 2.3116 0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 1.1967 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.4166 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3549 -1.7973 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 0.3673 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9445 -0.2364 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 -2.4011 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0218 -1.6206 -0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.5771 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0254 2.0154 -0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3058 -3.9764 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 0.3927 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3965 1.2582 -1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5437 2.7228 0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 3.2841 -0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5748 -0.2966 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7151 1.3382 -1.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5515 2.0275 1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2465 3.2487 0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3764 1.5280 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 0.3542 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3549 1.4399 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -3.4689 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9656 -2.1121 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0722 2.1913 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8126 2.2170 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 2.7073 0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6567 -4.4034 0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 -4.4341 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -4.2232 -1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5277 0.9967 0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4342 2.2153 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 4 21 2 0 0 0 0 5 18 2 0 0 0 0 6 21 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M END > DB02660 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/STTRYQAGHGJXJJ-LICLKQGHSA-N/SDF?record_type=3d > COC1=CC=C(C=C1OC1CCCC1)C(\C)=N\OC(N)=O > InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+ > STTRYQAGHGJXJJ-LICLKQGHSA-N > C15H20N2O4 > 292.3303 > 292.142307138 > 5 > 41 > 2.6679407937989075e-06 > 31.38642743152608 > 1 > 1 > 0 > 1 > (E)-{1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethylidene}amino carbamate > 3.22 > 2.389079885 > -4.18 > 0 > 0 > 2 > 0 > 13.286518254335906 > 1.5031016091028777 > 83.14000000000001 > 77.45030000000001 > 6 > 1 > 1.92e-02 g/l > biotin > 0 $$$$